SCHEMBL7374161

SCHEMBL7374161

CCOC(=O)CCCCCOc1cc(Cl)ccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C)cc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
PNLIP P16233 1/20 0.39
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
MTTP P55157 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
GCGR P47871 1/20 0.35
SGMS2 Q8NHU3 2/20 0.35

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
SCHEMBL7375342 0.94 PNLIP (0.39) AVPR2AVPR1APNLIPMEN1MAPT
SCHEMBL7376314 0.93 MTTP (0.42) MEN1MAPTKMT2APOLBHPGD
SCHEMBL7372866 0.92 MAPT (0.42) AVPR2AVPR1AMEN1MAPTKMT2A
SCHEMBL7370671 0.92 GCGR (0.41) AVPR2AVPR1APNLIPMEN1MAPT
SCHEMBL7369305 0.88 F10 (0.39) AVPR2AVPR1AMEN1MAPTKMT2A
SCHEMBL7379386 0.86 CYP1A2 (0.44) AVPR2AVPR1AMEN1KMT2ACYP2C19
SCHEMBL7373910 0.86 AVPR2 (0.41) AVPR2AVPR1AMEN1MAPTKMT2A
SCHEMBL8813868 0.85 MEN1 (0.37) PNLIPMEN1MAPTKMT2APOLB
SCHEMBL7369948 0.85 MTTP (0.39) AVPR2AVPR1AHPGDMTTP
SCHEMBL7374840 0.85 PYGL (0.41) AVPR2AVPR1APNLIPMEN1MAPT

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