SCHEMBL8628615

SCHEMBL8628615

COc1cc(NC(=O)c2ccccc2Cl)ccc1C(=O)N1c2ccc(Cl)cc2CCCC1OCCn1cncn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
AVPR2 P30518 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
AVPR1A P37288 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL8627405 0.89 GRM4 (0.41) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL8631926 0.85 AVPR2 (0.44) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL8628611 0.85 GRM4 (0.42) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL8630997 0.84 GRM4 (0.42) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL8628504 0.84 GRM4 (0.42) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL4685199 0.84 AVPR2 (0.48) GRM4KMT2AAVPR2AVPR1A
Hydrochloric Acid SCHEMBL8630791 0.83 GRM4 (0.41) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL8631642 0.83 AVPR2 (0.47) GRM4KMT2ATP53LMNAAVPR2
SCHEMBL8627130 0.82 AVPR2 (0.44) TP53LMNAAVPR2ALDH1A1AVPR1A
Hydrochloric Acid SCHEMBL8632563 0.81 AVPR2 (0.49) KMT2ATP53LMNAAVPR2ALDH1A1

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