SCHEMBL9698401

SCHEMBL9698401

CC1CN(CCN)CCC1Nc1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.60
EED O75530 2/20 0.60
KCNH2 Q12809 8/20 0.56
NR4A2 P43354 2/20 0.56
HRH1 P35367 5/20 0.56
CYP2D6 P10635 4/20 0.56
CHRM1 P11229 3/20 0.56
HRH4 Q9H3N8 2/20 0.56
MEN1 O00255 1/20 0.56
MLNR O43193 1/20 0.56
CACNA1F O60840 1/20 0.56
USP2 O75604 1/20 0.56
ABCB11 O95342 1/20 0.56
EGFR P00533 1/20 0.56
LMNA P02545 1/20 0.56
HLA-A P04439 1/20 0.56
ERBB2 P04626 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
LCK P06239 1/20 0.56

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
SCHEMBL9629523 0.87 EED (0.74) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10751641 0.86 SSTR5 (0.59) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL9698177 0.85 SSTR5 (0.80) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10861690 0.84 EED (0.53) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10861681 0.84 EED (0.53) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10861672 0.84 EED (0.53) SSTR5EEDKCNH2NR4A2HRH1
Hydrochloric Acid SCHEMBL9698220 0.84 SSTR5 (0.79) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL10861669 0.83 EED (0.52) SSTR5EEDKCNH2NR4A2HRH1
Hydrochloric Acid SCHEMBL11473528 0.82 SSTR5 (0.53) SSTR5EEDKCNH2NR4A2HRH1
SCHEMBL9630505 0.81 SSTR5 (0.75) SSTR5EEDKCNH2NR4A2HRH1

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 12 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
EP-0151824-B1 N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-04-04 EP disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
EP-0145037-B1 N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP 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-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US disclosed
US-4588722-A ANTIHISTAMINES, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1986-05-13 US disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0151824-A2 N-(4-piperidinyl) bicyclic condensed 2-imidazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed