SCHEMBL9824064

SCHEMBL9824064

CNC(=O)CN1CCCCC1CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
ALDH1A1 P00352 4/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRD1 P41143 2/20 0.36
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
OPRL1 P41146 1/20 0.33
TERT O14746 1/20 0.32

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
SCHEMBL18878629 0.95 ALDH1A1 (0.42) LTA4HALDH1A1OPRK1TSHRNPSR1
SCHEMBL9824251 0.85 CYP1A2 (0.41) LTA4HALDH1A1TSHRNPSR1OPRD1
SCHEMBL10508128 0.83 LTA4H (0.44) LTA4HOPRK1OPRD1LMNAMEN1
SCHEMBL9824144 0.83 LTA4H (0.36) LTA4HALDH1A1TSHRNPSR1OPRD1
SCHEMBL9824314 0.83 LTA4H (0.36) LTA4HALDH1A1TSHRNPSR1OPRD1
SCHEMBL9824701 0.81 OPRK1 (0.40) LTA4HOPRK1TSHROPRD1LMNA
SCHEMBL18878613 0.78 ALDH1A1 (0.39) LTA4HALDH1A1OPRK1OPRD1L3MBTL1
SCHEMBL9824618 0.77 ALDH1A1 (0.41) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL18878632 0.77 LTA4H (0.39) LTA4HALDH1A1TSHRNPSR1OPRD1
SCHEMBL18875622 0.74 OPRD1 (0.45) LTA4HALDH1A1OPRD1MEN1KMT2A

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