SCHEMBL9535641

SCHEMBL9535641

NCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.52
TBXA2R P21731 2/20 0.51
KCNH2 Q12809 6/20 0.50
NR4A2 P43354 1/20 0.50
HRH1 P35367 8/20 0.49
CYP2D6 P10635 7/20 0.49
CHRM1 P11229 4/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TACR2 P21452 2/20 0.48
TACR1 P25103 2/20 0.48
HTR3A P46098 2/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
CACNA1F O60840 1/20 0.48
EED O75530 1/20 0.48
USP2 O75604 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
HLA-A P04439 1/20 0.48

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
SCHEMBL9536849 0.90 HRH1 (0.62) SSTR5TBXA2RKCNH2NR4A2HRH1
SCHEMBL9536631 0.85 SSTR5 (0.48) SSTR5TBXA2RKCNH2NR4A2HRH1
SCHEMBL9537168 0.84 SSTR5 (0.49) SSTR5TBXA2RKCNH2NR4A2HRH1
SCHEMBL9537130 0.82 KCNH2 (0.63) TBXA2RKCNH2NR4A2HRH1CYP2D6
SCHEMBL9536663 0.80 RAB9A (0.55) SSTR5TBXA2RKCNH2NR4A2HRH1
Bromide SCHEMBL10798602 0.80 HRH1 (0.52) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9698177 0.80 SSTR5 (0.80) SSTR5TBXA2RKCNH2NR4A2HRH1
Hydrochloric Acid SCHEMBL9698220 0.79 SSTR5 (0.79) SSTR5TBXA2RKCNH2NR4A2HRH1
SCHEMBL9697152 0.78 HRH1 (0.73) SSTR5KCNH2NR4A2HRH1CYP2D6
SCHEMBL9544433 0.78 HRH1 (0.58) SSTR5TBXA2RKCNH2NR4A2HRH1

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