SCHEMBL9536663

SCHEMBL9536663

NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
SSTR5 P35346 3/20 0.53
CYP2D6 P10635 7/20 0.53
HRH1 P35367 7/20 0.53
KCNH2 Q12809 6/20 0.53
CHRM1 P11229 4/20 0.53
NR4A2 P43354 1/20 0.51
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
EED O75530 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HLA-A P04439 1/20 0.49
ERBB2 P04626 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL9539669 0.93 RAB9A (0.52) RAB9ASSTR5CYP2D6HRH1KCNH2
SCHEMBL9538432 0.91 PRMT3 (0.59) SSTR5CYP2D6HRH1KCNH2MEN1
SCHEMBL9537554 0.90 HRH1 (0.63) RAB9ASSTR5CYP2D6HRH1KCNH2
Hydrochloric Acid SCHEMBL9537670 0.90 RAB9A (0.55) RAB9ASSTR5CYP2D6HRH1KCNH2
Hydrochloric Acid SCHEMBL9539517 0.89 HRH1 (0.62) RAB9ASSTR5CYP2D6HRH1KCNH2
SCHEMBL9536935 0.89 NPSR1 (0.55) RAB9ASSTR5CYP2D6HRH1KCNH2
SCHEMBL9536543 0.88 SSTR5 (0.66) RAB9ASSTR5CYP2D6HRH1KCNH2
SCHEMBL9537797 0.87 RAB9A (0.57) RAB9ASSTR5CYP2D6HRH1KCNH2
SCHEMBL9537733 0.87 ENPP2 (0.44) RAB9ASSTR5CYP2D6HRH1LMNA
SCHEMBL10549525 0.87 RAB9A (0.55) RAB9ASSTR5CYP2D6HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed