SCHEMBL6968601

SCHEMBL6968601

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.50
AVPR1A P37288 10/20 0.50
OXTR P30559 2/20 0.49
AVPR1B P47901 2/20 0.49
ABCB11 O95342 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM1 P11229 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49

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
SCHEMBL6970791 0.94 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1BABCB11
SCHEMBL6971154 0.91 AVPR2 (0.54) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6964971 0.89 AVPR2 (0.48) AVPR2AVPR1AOXTRAVPR1BABCB11
SCHEMBL6961515 0.88 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961772 0.88 AVPR1A (0.54) AVPR2AVPR1AAVPR1B
SCHEMBL6966646 0.85 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL6968625 0.84 AVPR2 (0.56) AVPR2AVPR1AOXTRAVPR1BABCB11
SCHEMBL6960321 0.83 AVPR1A (0.52) AVPR2AVPR1AAVPR1B
SCHEMBL6968029 0.83 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1BABCB11
SCHEMBL6965498 0.83 AVPR2 (0.49) AVPR2AVPR1AOXTRAVPR1BABCB11

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