SCHEMBL8325925

SCHEMBL8325925

Cc1cc(OCC(=O)O)ccc1NC(=O)N1CCC(C2CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
MCL1 Q07820 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
CBX7 O95931 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR183 P32249 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PTPRB P23467 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
GRIN2B Q13224 1/20 0.38

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
SCHEMBL8523243 0.85 GPR119 (0.47) PTPN2PTPN1KMT2AGAAMAPT
SCHEMBL8605663 0.82 GPR119 (0.39) THRBRAB9ANPC1MCL1PTPN2
SCHEMBL8325991 0.76 P2RY14 (0.48) RAB9ANPC1MCL1KMT2AMAPT
SCHEMBL8463058 0.76 L3MBTL3 (0.57) NPC1KMT2AGAAHPGDHSD17B10
SCHEMBL8666469 0.75 MAPT (0.44) PTPN2PTPN1KMT2AGAAMAPT
SCHEMBL8318616 0.74 USP2 (0.52) RAB9AKMT2AGPR183GAAMAPT
SCHEMBL8321062 0.73 KIT (0.48) MCL1KMT2AHSD17B10MAPT
SCHEMBL9058915 0.72 MAPT (0.46) THRBKMT2AMAPT
SCHEMBL16178434 0.72 RAB9A (0.47) THRBRAB9ANPC1KMT2A
SCHEMBL8666467 0.69 SMN1; SMN2 (0.45) PTPN2PTPN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed