SCHEMBL7473879

SCHEMBL7473879

COc1c(C(=O)c2cccc3[nH]c(CN(C)C)nc23)ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34
CDK1 P06493 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CBX7 O95931 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CFD P00746 3/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL7961936 0.93 PARP1 (0.34) AVPR2AVPR1ACDK1CDK4CCND1
SCHEMBL7972159 0.86 AVPR2 (0.34) AVPR2AVPR1ACDK1CDK4CCND1
SCHEMBL7966823 0.86 AVPR2 (0.34) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
SCHEMBL7478475 0.85 CBX7 (0.38) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7968982 0.85 AVPR2 (0.33) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
SCHEMBL7486482 0.84 RAB9A (0.35) AVPR2AVPR1ACDK1CDK4CCND1
SCHEMBL7596846 0.84 AVPR2 (0.33) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
SCHEMBL7781332 0.83 KMT2A (0.39) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6
SCHEMBL7476401 0.83 MEN1 (0.35) AVPR2AVPR1ACDK1CDK4CCND1
Hydrochloric Acid SCHEMBL7967336 0.83 AVPR2 (0.33) AVPR2AVPR1ACYP1A2CYP3A4CYP2D6

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-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed