SCHEMBL9536849

SCHEMBL9536849

OCCN1CCC(Sc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 10/20 0.62
CYP2D6 P10635 8/20 0.62
MAPK1 P28482 2/20 0.58
SSTR5 P35346 3/20 0.52
KCNH2 Q12809 7/20 0.52
NR4A2 P43354 1/20 0.52
TBXA2R P21731 2/20 0.51
CHRM1 P11229 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TACR2 P21452 2/20 0.49
TACR1 P25103 2/20 0.49
MC4R P32245 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

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
SCHEMBL9535641 0.90 SSTR5 (0.52) HRH1CYP2D6MAPK1SSTR5KCNH2
SCHEMBL9536631 0.85 SSTR5 (0.48) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9537168 0.84 SSTR5 (0.49) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9537130 0.82 KCNH2 (0.63) HRH1CYP2D6MAPK1KCNH2NR4A2
Bromide SCHEMBL10798602 0.82 HRH1 (0.52) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9537554 0.80 HRH1 (0.63) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9697310 0.80 SSTR5 (0.80) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9536075 0.80 HRH1 (0.62) HRH1CYP2D6SSTR5KCNH2NR4A2
Hydrochloric Acid SCHEMBL9539517 0.80 HRH1 (0.62) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9541656 0.79 HRH1 (0.61) HRH1CYP2D6SSTR5KCNH2NR4A2

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