SCHEMBL4741540

SCHEMBL4741540

CCOC(=O)CN1CCN(C(=O)C2CCC(C)N(C(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3OC)c3ccc(Cl)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.42
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
AVPR2 P30518 3/20 0.38
AVPR1A P37288 2/20 0.38
ABCB11 O95342 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
GLP1R P43220 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL4682920 0.92 HSD17B10 (0.43) CHRM1CHRM5CHRM3HSD17B10AVPR2
SCHEMBL4685757 0.87 MAPT (0.42) CHRM1CHRM5CHRM3HSD17B10LMNA
SCHEMBL7334875 0.83 GRM4 (0.45) CHRM1HSD17B10AVPR2AVPR1AABCB11
SCHEMBL4697111 0.80 AVPR2 (0.48) CHRM1CHRM5CHRM3HSD17B10AVPR2
SCHEMBL9445082 0.79 TAS1R3 (0.43) CHRM1CHRM5CHRM3TP53AVPR2
SCHEMBL4684908 0.77 GRM4 (0.40) CHRM1CHRM5CHRM3HSD17B10AVPR2
SCHEMBL8628426 0.75 LMNA (0.44) CHRM1CHRM5CHRM3HSD17B10LMNA
SCHEMBL8631788 0.74 AVPR2 (0.53) CHRM1CHRM5CHRM3TP53AVPR2
SCHEMBL4681166 0.74 AVPR2 (0.51) CHRM1CHRM5CHRM3LMNATP53
SCHEMBL8630617 0.73 CHRM1 (0.40) CHRM1CHRM5CHRM3LMNATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed