SCHEMBL7339871

SCHEMBL7339871

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AVPR2 P30518 2/20 0.38
AVPR1A P37288 2/20 0.38
AVPR1B P47901 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 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
SCHEMBL7339114 0.91 AVPR2 (0.42) ALDH1A1HPGDAVPR2AVPR1AAVPR1B
SCHEMBL7345034 0.91 AVPR2 (0.40) ALDH1A1HPGDMEN1KMT2AAVPR2
Hydrochloric Acid SCHEMBL7344511 0.91 AVPR2 (0.40) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL7370102 0.90 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2ADRA1D
SCHEMBL7336282 0.90 AVPR2 (0.39) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL7339127 0.90 AVPR2 (0.44) ALDH1A1HPGDMEN1KMT2AAVPR2
Hydrochloric Acid SCHEMBL7345288 0.90 AVPR2 (0.38) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL7338979 0.89 AVPR2 (0.42) ALDH1A1HPGDMEN1KMT2AAVPR2
Hydrochloric Acid SCHEMBL7342655 0.89 AVPR2 (0.43) ALDH1A1HPGDMEN1KMT2AAVPR2
SCHEMBL7966249 0.89 MAPK11 (0.38) ALDH1A1HPGDMEN1KMT2AAVPR2

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-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
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed