SCHEMBL8537002

SCHEMBL8537002

CCOP(=O)(Cc1ccc(C(=O)Nc2ccccc2)cc1)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.58
NPC1 O15118 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
HDAC1 Q13547 1/20 0.52
PTPN1 P18031 2/20 0.51
NPY5R Q15761 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15668082 0.90 PGR (0.60) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9499648 0.88 NPC1 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9500932 0.86 RAB9A (0.58) TRPV1NPC1MEN1KMT2ARAB9A
SCHEMBL9502383 0.86 HDAC1 (0.50) TRPV1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL7164864 0.86 NPC1 (0.52) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8721476 0.86 NPC1 (0.59) TRPV1NPC1MEN1KMT2ARAB9A
SCHEMBL9502356 0.86 MAPT (0.55) NPC1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL9500132 0.85 NPC1 (0.65) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7752971 0.85 KMT2A (0.62) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL9499536 0.84 TRPV1 (0.57) TRPV1NPC1RAB9ASMN1; SMN2HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP claimed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US claimed
US-5760045-A BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1998-06-02 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP disclosed
US-5618801-A ADMINISTERING SUBSTITUTED DIALKOXYPHOSPHINOYLMETHYLBENZAMIDE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-04-08 US disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 US disclosed
EP-0646007-A4 1995-04-26 EP disclosed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 EP disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
EP-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed
EP-0273444-A2 Use of carboxamide compounds for the preparation of a medicament for treating hyperlipidemia OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-06 EP disclosed