SCHEMBL8675490

SCHEMBL8675490

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C/C(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.75
AVPR2 P30518 9/20 0.75
AVPR1B P47901 7/20 0.60
OXTR P30559 2/20 0.60
ABCB11 O95342 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
GRM1 Q13255 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8675496 1.00 AVPR1A (0.75) AVPR1AAVPR2AVPR1BOXTRABCB11
Hydrochloric Acid SCHEMBL9028922 0.88 AVPR1A (0.84) AVPR1AAVPR2AVPR1BOXTRABCB11
Hydrochloric Acid SCHEMBL9028914 0.88 AVPR1A (0.84) AVPR1AAVPR2AVPR1BOXTRABCB11
SCHEMBL8673847 0.86 AVPR1A (0.56) AVPR1AAVPR2AVPR1BOXTRGRM1
SCHEMBL9028440 0.86 AVPR1A (0.56) AVPR1AAVPR2AVPR1BOXTRGRM1
SCHEMBL9028478 0.86 AVPR2 (0.82) AVPR1AAVPR2AVPR1BOXTRABCB11
SCHEMBL9028471 0.86 AVPR2 (0.82) AVPR1AAVPR2AVPR1BOXTRABCB11
SCHEMBL7414954 0.85 AVPR2 (1.00) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL7414955 0.85 AVPR2 (1.00) AVPR1AAVPR2AVPR1BOXTR
Hydrochloric Acid SCHEMBL9035498 0.85 AVPR1A (0.53) AVPR1AAVPR2AVPR1BOXTRGRM1

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-5710150-A ARGININE VASOPRESSIN ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US claimed