SCHEMBL8630548

SCHEMBL8630548

O=C(Nc1ccc(C(=O)N2c3ccc(O)cc3C(O)(CO)CCC2Cl)cc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
AVPR1A P37288 5/20 0.44
AVPR2 P30518 4/20 0.44
AVPR1B P47901 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SMO Q99835 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM4 Q14833 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
SCHEMBL8718172 0.82 AVPR2 (0.43) AVPR1AAVPR2
SCHEMBL8716101 0.81 AVPR2 (0.49) AVPR1AAVPR2AVPR1BCHRM1
SCHEMBL8632229 0.77 AVPR1A (0.47) HSD11B1AVPR1AAVPR2AVPR1BCHRM5
SCHEMBL4682239 0.76 LMNA (0.48) AVPR1AAVPR2AVPR1BCHRM5CHRM1
SCHEMBL8713819 0.70 HSD11B1 (0.49) HSD11B1AVPR1AAVPR2AVPR1BSMO
SCHEMBL8713384 0.70 HSD11B1 (0.48) HSD11B1AVPR1AAVPR2AVPR1BSMO
SCHEMBL8717630 0.70 AVPR1A (0.57) HSD11B1AVPR1AAVPR2AVPR1BCHRM1
SCHEMBL8716136 0.69 AVPR1A (0.47) HSD11B1AVPR1AAVPR2AVPR1BCHRM1
SCHEMBL22871480 0.68 AVPR1A (0.49) AVPR1AAVPR2AVPR1B
SCHEMBL4684883 0.67 AVPR1A (0.54) HSD11B1AVPR1AAVPR2AVPR1BCHRM1

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-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed