SCHEMBL10969412

SCHEMBL10969412

O=C(NC1CCCCC1)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
CD38 P28907 3/20 0.47
GAA P10253 1/20 0.44
QPCT Q16769 1/20 0.44
EPHX1 P07099 6/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11878058 0.98 CD38 (0.46) HTTCD38GAAQPCTEPHX1
SCHEMBL1425379 0.95 CD38 (0.43) HTTCD38GAAQPCTEPHX1
SCHEMBL24908113 0.94 CD38 (0.43) HTTCD38GAAQPCTEPHX1
SCHEMBL1934143 0.91 CD38 (0.39) HTTCD38GAAQPCTMAPT
SCHEMBL12018143 0.85 EPHX2 (0.44) CD38MAPTEPHX2CYP2C19
SCHEMBL23435085 0.83 CD38 (0.52) CD38EPHX2
SCHEMBL18073599 0.80 EPHX2 (0.39) CD38NPC1RAB9AMAPTEPHX2
SCHEMBL4618043 0.80 KMT2A (0.39) HTTKDM4EALDH1A1EPHX2
SCHEMBL6102108 0.80 KMT2A (0.39) HTTKDM4EALDH1A1EPHX2
SCHEMBL18078095 0.79 CD38 (0.37) CD38ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0197840-A1 (Imidazolyl-4) piperidines, their preparation and their therapeutical use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1986-10-15 EP disclosed
US-4542139-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-17 US disclosed
US-4379785-A Heterocyclic substituted sulfonyl ureas, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-12 US disclosed
US-4379153-A Benzenesulfonyl ureas, and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-05 US disclosed
US-4325963-A ANTIDIABETIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-20 US disclosed
US-4315940-A Antidiabetic 1-piperidine-sulfonylureas HOECHST AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4282239-A HYPOTENSIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
US-4157395-A TREATMENT OF DIABETES HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-05 US disclosed
US-4025519-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-24 US disclosed
US-3962244-A LOWERING OF BLOOD-SUGAR LEVELS HOECHST AKTIENGESELLSCHAFT (DT) 1976-06-08 US disclosed