SCHEMBL9160658

SCHEMBL9160658

COc1cc(CCN(C)CCCCNC(=O)C/C=C/c2ccc(-n3ccc(=O)cc3)cc2)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL9232815 0.97 CNR1 (0.36) CNR1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL9232408 0.89 CYP3A4 (0.42)
SCHEMBL9155730 0.88 DRD3 (0.42)
SCHEMBL9160168 0.87 CYP3A4 (0.40)
SCHEMBL9155180 0.87 SIGMAR1 (0.42)
SCHEMBL9160871 0.86 CCR3 (0.36)
SCHEMBL8828169 0.86 OPRM1 (0.44)
SCHEMBL9234114 0.85 CNR1 (0.35) CNR1MTNR1AMTNR1B
SCHEMBL8828202 0.85 DRD3 (0.41)
Hydrochloric Acid SCHEMBL6368810 0.85 DRD3 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP claimed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP claimed
EP-0399358-A2 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1990-11-28 EP claimed
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0633248-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1995-01-11 EP disclosed
EP-0589491-A1 Butenoic acid derivatives Eisai Co., Ltd. (JP) 1994-03-30 EP disclosed
US-5292770-A Butenoic acid derivatives EISAI CO., LTD. (JP) 1994-03-08 US disclosed
US-5166188-A Cardiovascular disorders, antiischemic agents EISAI CO., LTD. (JP) 1992-11-24 US disclosed