SCHEMBL8713499

SCHEMBL8713499

CNC1CCC(Cl)N(C(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.43
AVPR1A P37288 5/20 0.43
ABCB11 O95342 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
OXTR P30559 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
AVPR1B P47901 1/20 0.40
PTGS1 P23219 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL8713819 0.87 HSD11B1 (0.49) AVPR2AVPR1AAVPR1B
SCHEMBL8713805 0.87 AVPR2 (0.55) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8712973 0.79 AVPR1A (0.54) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8713623 0.78 AVPR2 (0.54) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8713384 0.77 HSD11B1 (0.48) AVPR2AVPR1AAVPR1B
SCHEMBL8713915 0.77 AVPR2 (0.54) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8712329 0.76 AVPR2 (0.68) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8712951 0.76 AVPR2 (0.51) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL8716480 0.74 AVPR2 (0.51) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7356029 0.74 AVPR2 (0.49) AVPR2AVPR1AABCB11HTR1ACHRM1

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed