SCHEMBL6966477

SCHEMBL6966477

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(c5ccccn5)CC4)c4ccccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
AVPR2 P30518 10/20 0.48
AVPR1A P37288 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
OXTR P30559 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL6701281 0.88 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6969201 0.86 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL6971132 0.86 AVPR2 (0.54) AVPR2AVPR1AOXTR
Iodide SCHEMBL6965358 0.86 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL6967669 0.86 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6970466 0.86 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6972071 0.86 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6970484 0.86 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL6965699 0.85 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL6966540 0.84 AVPR2 (0.49) AVPR2AVPR1AOXTR

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed