SCHEMBL7375729

SCHEMBL7375729

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCNC(=O)N3CCN(C)CC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AVPR1A P37288 1/20 0.39
AVPR1B P47901 1/20 0.39
RECQL P46063 1/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7367751 0.98 AVPR2 (0.40) AVPR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7374551 0.97 AVPR2 (0.40) AVPR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7373631 0.93 NAMPT (0.43) AVPR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7748371 0.91 F10 (0.38) AVPR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7371827 0.91 AVPR2 (0.42) AVPR2ALDH1A1AVPR1AAVPR1B
SCHEMBL7748724 0.91 AVPR2 (0.42) AVPR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7376078 0.90 AVPR2 (0.42) AVPR2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7374590 0.90 AVPR2 (0.44) AVPR2AVPR1AAVPR1B
SCHEMBL7370995 0.89 AVPR2 (0.48) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7368219 0.89 L3MBTL1 (0.45) ALDH1A1NAMPTMEN1KMT2AMAPT

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