SCHEMBL7378378

SCHEMBL7378378

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCCCC(=O)N3CCN(C)CC3)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.42
AVPR1A P37288 6/20 0.42
AVPR1B P47901 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTTP P55157 1/20 0.36

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
SCHEMBL7379386 0.94 CYP1A2 (0.44) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
SCHEMBL7516478 0.92 AVPR2 (0.42) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
SCHEMBL7372942 0.90 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7751053 0.90 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7373559 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4
SCHEMBL7372097 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL7348540 0.89 MEN1 (0.43) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
SCHEMBL7338316 0.88 KMT2A (0.41) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
SCHEMBL7374840 0.88 PYGL (0.41) AVPR2AVPR1ACYP2C19MEN1ALDH1A1
SCHEMBL7370995 0.87 AVPR2 (0.48) AVPR2AVPR1AAVPR1BCYP1A2CYP3A4

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