SCHEMBL9824314

SCHEMBL9824314

CNC(=O)CN1CCCCC1CN(C)C1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRL1 P41146 6/20 0.31
OPRM1 P35372 4/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL9824144 1.00 LTA4H (0.36) LTA4HALDH1A1TSHRNPSR1LMNA
SCHEMBL9824780 0.85 OPRD1 (0.33) LTA4HOPRD1
SCHEMBL9824784 0.85 OPRD1 (0.33) LTA4HOPRD1
SCHEMBL9824064 0.83 LTA4H (0.40) LTA4HALDH1A1TSHRNPSR1LMNA
SCHEMBL9824700 0.80 S1PR1 (0.34) TSHROPRD1
SCHEMBL18878629 0.78 ALDH1A1 (0.42) LTA4HALDH1A1TSHRNPSR1OPRD1
SCHEMBL9824251 0.78 CYP1A2 (0.41) LTA4HALDH1A1TSHRNPSR1OPRD1
SCHEMBL9824159 0.77 ALDH1A1 (0.40) ALDH1A1TSHRNPSR1LMNAATM
SCHEMBL9824151 0.77 ALDH1A1 (0.40) ALDH1A1TSHRNPSR1LMNAATM
SCHEMBL9824531 0.76 OPRD1 (0.33) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273239-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1991-03-06 EP disclosed
US-4873236-A BRADYCARDIAL AGENTS DR. KARL THOMAE GMBH (DE) 1989-10-10 US disclosed
EP-0273239-A1 Condensed diazepinones, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1988-07-06 EP disclosed