SCHEMBL9540155

SCHEMBL9540155

CCOC(=O)CN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
HRH1 P35367 6/20 0.52
CYP2D6 P10635 5/20 0.52
KCNH2 Q12809 3/20 0.51
TP53 P04637 1/20 0.51
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
CHRM1 P11229 2/20 0.46
SSTR5 P35346 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
Hydrochloric Acid SCHEMBL9537718 0.86 TP53 (0.52) RAB9AHRH1CYP2D6KCNH2TP53
SCHEMBL9537249 0.86 SCN9A (0.53) RAB9AHRH1CYP2D6KCNH2TP53
SCHEMBL9540172 0.83 TP53 (0.53) RAB9AHRH1CYP2D6KCNH2TP53
SCHEMBL9536543 0.82 SSTR5 (0.66) RAB9AHRH1CYP2D6KCNH2CHRM1
SCHEMBL9537554 0.81 HRH1 (0.63) RAB9AHRH1CYP2D6KCNH2TP53
SCHEMBL9537797 0.81 RAB9A (0.57) RAB9AHRH1CYP2D6KCNH2CHRM1
Oxalic Acid SCHEMBL10547004 0.80 TP53 (0.53) RAB9AHRH1CYP2D6KCNH2TP53
Oxalic Acid SCHEMBL9536322 0.80 TP53 (0.53) RAB9AHRH1CYP2D6KCNH2TP53
Hydrochloric Acid SCHEMBL9539517 0.80 HRH1 (0.62) RAB9AHRH1CYP2D6KCNH2TP53
SCHEMBL10550102 0.80 GNRHR (0.51) RAB9AHRH1CYP2D6KCNH2TP53

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