SCHEMBL9699680

SCHEMBL9699680

N#CCN1CCC(Nc2nc3cccnc3n2Cc2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.44
HRH1 P35367 1/20 0.42
SSTR5 P35346 4/20 0.41
DRD4 P21917 1/20 0.39
GPR6 P46095 1/20 0.38
MCHR1 Q99705 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
ENPP2 Q13822 1/20 0.37
NR4A2 P43354 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL9631274 0.94 KCNH2 (0.42) KCNH2HRH1SSTR5DRD4SIGMAR1
SCHEMBL9699544 0.85 HRH1 (0.47) KCNH2HRH1SSTR5DRD4GPR6
SCHEMBL10428946 0.85 SSTR5 (0.57) KCNH2HRH1SSTR5DRD4SIGMAR1
SCHEMBL9630331 0.83 KCNH2 (0.54) KCNH2HRH1SSTR5DRD4SIGMAR1
SCHEMBL9698779 0.83 HRH1 (0.45) KCNH2HRH1SSTR5DRD4GPR6
SCHEMBL9697289 0.82 HRH1 (0.43) KCNH2HRH1SSTR5DRD4GPR6
SCHEMBL9389243 0.82 KCNH2 (0.39) KCNH2SSTR5NR4A2
SCHEMBL9630368 0.82 HRH1 (0.43) KCNH2HRH1SSTR5DRD4SIGMAR1
Bromide SCHEMBL9698669 0.81 KCNH2 (0.50) KCNH2HRH1GPR6ENPP2NR4A2
SCHEMBL9537031 0.80 SLC6A9 (0.42) KCNH2HRH1SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed