SCHEMBL9699544

SCHEMBL9699544

NCCN1CCC(Nc2nc3cccnc3n2Cc2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
SSTR5 P35346 4/20 0.43
KCNH2 Q12809 11/20 0.42
NR4A2 P43354 1/20 0.41
DRD4 P21917 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
EED O75530 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
HLA-A P04439 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL9630368 0.94 HRH1 (0.43) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL8133192 0.89 SSTR5 (0.39) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL4987366 0.89 HRH1 (0.58) HRH1SSTR5KCNH2NR4A2DRD4
Water SCHEMBL6662104 0.89 KCNH2 (0.42) HRH1SSTR5KCNH2NR4A2DRD4
Hydrochloric Acid SCHEMBL5124598 0.88 KCNH2 (0.41) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9698779 0.87 HRH1 (0.45) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9699680 0.85 KCNH2 (0.44) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL9697289 0.85 HRH1 (0.43) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL10507001 0.84 SSTR5 (0.59) HRH1SSTR5KCNH2NR4A2DRD4
SCHEMBL5114336 0.83 HTR5A (0.41) HRH1SSTR5KCNH2NR4A2DRD4

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