SCHEMBL6972088

SCHEMBL6972088

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)N4CCN(C)CC4)c4ccccc43)c([N+](=O)[O-])c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.39
AVPR2 P30518 4/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
AVPR1A P37288 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL9414267 0.90 AVPR2 (0.40) AVPR2ALDH1A1POLBLMNAAVPR1A
SCHEMBL6970774 0.89 AVPR2 (0.47) CCKBRAVPR2AVPR1ARAB9A
SCHEMBL6959421 0.88 AVPR2 (0.42) AVPR2ALDH1A1POLBAVPR1AMEN1
SCHEMBL6968503 0.88 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL6959660 0.83 AVPR2 (0.50) CCKBRAVPR2AVPR1A
SCHEMBL6971575 0.82 AVPR2 (0.42) AVPR2ALDH1A1POLBLMNAAVPR1A
SCHEMBL6961515 0.81 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL6972403 0.80 AVPR2 (0.44) CCKBRAVPR2POLBLMNATSHR
SCHEMBL6970420 0.80 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL6966416 0.80 AVPR2 (0.53) CCKBRAVPR2AVPR1A

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
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed