SCHEMBL7372148

SCHEMBL7372148

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)O)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTTP P55157 7/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
AVPR2 P30518 4/20 0.41
AVPR1A P37288 4/20 0.41
AVPR1B P47901 4/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
FABP4 P15090 1/20 0.40
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7377093 0.98 AVPR2 (0.43) MTTPAVPR2AVPR1AAVPR1BTP53
SCHEMBL7376477 0.96 MTTP (0.42) MTTPALDH1A1HPGDAVPR2AVPR1A
SCHEMBL7379146 0.95 MTTP (0.44) MTTPALDH1A1HPGDAVPR2AVPR1A
SCHEMBL7519200 0.95 MTTP (0.42) MTTPALDH1A1HPGDAVPR2AVPR1A
SCHEMBL8812490 0.93 TP53 (0.41) MTTPALDH1A1HPGDAVPR2AVPR1A
SCHEMBL7371222 0.93 MAPT (0.45) MTTPALDH1A1AVPR2MAPTHTT
SCHEMBL7377966 0.93 MTTP (0.41) MTTPALDH1A1HPGDAVPR2AVPR1A
SCHEMBL7370349 0.92 GAA (0.41) MTTPALDH1A1AVPR2AVPR1AAVPR1B
SCHEMBL7371186 0.91 AVPR2 (0.42) MTTPALDH1A1AVPR2AVPR1AAVPR1B
SCHEMBL7335216 0.90 MEN1 (0.46) TP53GAAHSP90AA1MAPTHTT

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed