SCHEMBL9537486

SCHEMBL9537486

CNc1ccccc1C(=O)NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HRH1 P35367 2/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
KCNH2 Q12809 3/20 0.46
TACR2 P21452 1/20 0.45
TACR1 P25103 1/20 0.45
NR4A2 P43354 1/20 0.44
MCHR1 Q99705 1/20 0.44
SSTR5 P35346 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL10547215 0.89 POLB (0.49) POLBHRH1CYP2D6CHRM1KCNH2
SCHEMBL9538781 0.87 HRH1 (0.48) POLBHRH1CYP2D6CHRM1KCNH2
SCHEMBL9536186 0.87 MAPT (0.56) POLBSSTR5SLC6A2SLC6A4TP53
Water SCHEMBL9739944 0.85 SSTR5 (0.62) HRH1CYP2D6CHRM1KCNH2TACR2
SCHEMBL9535357 0.85 KMT2A (0.48) POLBSLC6A2SLC6A4
SCHEMBL9536847 0.85 KCNH2 (0.49) POLBHRH1CYP2D6CHRM1KCNH2
SCHEMBL9538348 0.85 POLB (0.49) POLBHRH1CYP2D6CHRM1KCNH2
SCHEMBL10550102 0.85 GNRHR (0.51) POLBHRH1CYP2D6CHRM1KCNH2
Oxalic Acid SCHEMBL10552513 0.84 SSTR5 (0.51) HRH1CYP2D6CHRM1KCNH2TACR2
SCHEMBL9536266 0.84 OPRK1 (0.51) POLBHRH1CYP2D6KCNH2TACR2

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