SCHEMBL9537631

SCHEMBL9537631

COc1ccc(Cn2c(CC3CCN(CCO)CC3)nc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.54
TACR2 P21452 2/20 0.54
TACR1 P25103 2/20 0.54
KCNH2 Q12809 5/20 0.53
CYP2D6 P10635 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
SSTR5 P35346 2/20 0.53
TBXA2R P21731 2/20 0.53
EED O75530 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
CHRM1 P11229 2/20 0.53
HTT P42858 2/20 0.53
HTR3A P46098 2/20 0.53
MEN1 O00255 1/20 0.53
MLNR O43193 1/20 0.53
CACNA1F O60840 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL9537835 0.89 SSTR5 (0.59) HRH1KCNH2CYP2D6SMN1; SMN2SSTR5
SCHEMBL9535164 0.89 MEN1 (0.54) HRH1KCNH2CYP2D6SMN1; SMN2LMNA
SCHEMBL9537584 0.89 MEN1 (0.56) HRH1KCNH2CYP2D6LMNAHTT
SCHEMBL9537554 0.87 HRH1 (0.63) HRH1TACR2TACR1KCNH2CYP2D6
SCHEMBL9540175 0.87 KCNH2 (0.71) HRH1TACR2TACR1KCNH2CYP2D6
Hydrochloric Acid SCHEMBL9539517 0.86 HRH1 (0.62) HRH1TACR2TACR1KCNH2CYP2D6
SCHEMBL9536010 0.83 HRH1 (0.55) HRH1TACR2TACR1KCNH2CYP2D6
Hydrochloric Acid SCHEMBL9537707 0.83 KCNH2 (0.58) HRH1TACR2TACR1KCNH2CYP2D6
Hydrochloric Acid SCHEMBL9540285 0.83 KCNH2 (0.55) HRH1TACR2TACR1KCNH2CYP2D6
SCHEMBL9537539 0.83 HTR3A (0.62) HRH1KCNH2CYP2D6SMN1; SMN2TBXA2R

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 3 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