SCHEMBL7345676

SCHEMBL7345676

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC6 Q9UBN7 1/20 0.40
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL7338964 0.91 KMT2A (0.43) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL7966792 0.90 HPGD (0.42) KMT2AMEN1HPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7780674 0.90 KMT2A (0.42) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL7337137 0.90 KMT2A (0.40) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL7343093 0.89 POLB (0.39) HPGDALDH1A1CYP1A2HDAC6AVPR2
SCHEMBL7346621 0.88 MEN1 (0.43) KMT2AMEN1HPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL7344511 0.88 AVPR2 (0.40) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL7335732 0.88 ALDH1A1 (0.43) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL7345034 0.87 AVPR2 (0.40) KMT2AMEN1HPGDALDH1A1CYP1A2
SCHEMBL7339871 0.87 ALDH1A1 (0.39) KMT2AMEN1HPGDALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed