SCHEMBL7369636

SCHEMBL7369636

Cc1ccc(N(C)C(=O)c2ccc(N(C)C(=O)c3ccccc3)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MCHR1 Q99705 1/20 0.42
NPC1 O15118 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL7424282 0.96 AVPR2 (0.49) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL7751032 0.91 HPGD (0.52) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL8639834 0.85 AVPR2 (0.52) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL7347547 0.84 CYP1A2 (0.46) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL7480359 0.84 NPC1 (0.38) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL8662244 0.84 AVPR2 (0.47) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL7966792 0.84 HPGD (0.42) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL7346621 0.84 MEN1 (0.43) AVPR2AVPR1AKMT2AMEN1HPGD
SCHEMBL7345676 0.84 KMT2A (0.43) AVPR2AVPR1AKMT2AMEN1HPGD
Hydrochloric Acid SCHEMBL7342854 0.83 NPC1 (0.43) AVPR2AVPR1AKMT2AMEN1HPGD

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 4 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
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed