SCHEMBL8633400

SCHEMBL8633400

CNC(=O)N1CCN(CCC2(OC)CCCc3cc(Cl)ccc3N2C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.40
AVPR1A P37288 5/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
AVPR1B P47901 1/20 0.38
NAMPT P43490 1/20 0.38
WDR5 P61964 1/20 0.38
CXCR3 P49682 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL8628429 0.91 LMNA (0.43) AVPR2AVPR1ACHRM5CHRM1CHRM3
SCHEMBL8634104 0.89 AVPR2 (0.41) AVPR2AVPR1ACHRM5CHRM1CHRM3
SCHEMBL8631725 0.86 AVPR2 (0.40) AVPR2AVPR1ACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8631933 0.86 AVPR2 (0.47) AVPR2AVPR1ACHRM1LMNATP53
SCHEMBL8635113 0.83 CHRM5 (0.42) AVPR2AVPR1ACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8634039 0.81 LMNA (0.45) AVPR2AVPR1ACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8661682 0.81 LMNA (0.44) AVPR2AVPR1ACHRM5CHRM1CHRM3
SCHEMBL8630913 0.80 AVPR1A (0.37) AVPR2AVPR1ACHRM5CHRM1CHRM3
SCHEMBL8632578 0.79 AVPR2 (0.44) AVPR2AVPR1ACHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL8630103 0.78 AVPR2 (0.45) AVPR2AVPR1ACHRM1LMNATP53

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