SCHEMBL7748371

SCHEMBL7748371

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3OCCCNC(=O)N3CCN(C)CC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
MTTP P55157 8/20 0.38
KDM4E B2RXH2 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7375729 0.91 AVPR2 (0.41) KDM4EAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7367751 0.89 AVPR2 (0.40) KDM4EAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7374551 0.88 AVPR2 (0.40) KDM4EAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7371827 0.88 AVPR2 (0.42) MTTPAVPR2AVPR1AAVPR1BALDH1A1
SCHEMBL7374590 0.86 AVPR2 (0.44) MTTPAVPR2AVPR1AAVPR1B
SCHEMBL7373631 0.86 NAMPT (0.43) F10KDM4EAVPR2AVPR1AAVPR1B
SCHEMBL7373196 0.84 MTTP (0.40) F10MTTPKDM4ERXFP1ALDH1A1
SCHEMBL7376078 0.84 AVPR2 (0.42) MTTPKDM4EAVPR2AVPR1AAVPR1B
SCHEMBL7375706 0.84 HTT (0.46) F10MTTPKDM4ERXFP1ALDH1A1
SCHEMBL7368867 0.84 KDM4E (0.43) F10MTTPKDM4ERXFP1ALDH1A1

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 2 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