SCHEMBL7975663

SCHEMBL7975663

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(NCCCN(C)C)nc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.36
AVPR2 P30518 3/20 0.34
AVPR1A P37288 3/20 0.34
AVPR1B P47901 2/20 0.34
LCK P06239 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.32
MAP3K7 O43318 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL7965986 0.97 PTGES (0.34) PTGESAVPR2AVPR1AAVPR1BLCK
Hydrochloric Acid SCHEMBL7967145 0.97 PTGES (0.34) PTGESAVPR2AVPR1AAVPR1BLCK
SCHEMBL7978293 0.95 AVPR2 (0.34) PTGESAVPR2AVPR1AAVPR1BLCK
SCHEMBL7967127 0.94 AVPR2 (0.34) PTGESAVPR2AVPR1AAVPR1BLCK
Hydrochloric Acid SCHEMBL7963628 0.94 AVPR2 (0.34) PTGESAVPR2AVPR1AAVPR1BLCK
Hydrochloric Acid SCHEMBL7978209 0.94 AVPR2 (0.33) PTGESAVPR2AVPR1AAVPR1BLCK
SCHEMBL7975620 0.94 AVPR2 (0.34) AVPR2AVPR1AAVPR1BLCKMAPT
Hydrochloric Acid SCHEMBL7953946 0.93 AVPR2 (0.34) AVPR2AVPR1AAVPR1BLCKMAPT
SCHEMBL7480849 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7PDE3B
SCHEMBL7483272 0.91 AVPR2 (0.37) PTGESAVPR2AVPR1AAVPR1BMAP3K7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed