SCHEMBL9538348

SCHEMBL9538348

Cn1cccc1C(=O)NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
OPRK1 P41145 1/20 0.47
HRH1 P35367 2/20 0.46
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 0.46
KCNH2 Q12809 4/20 0.45
NR4A2 P43354 1/20 0.45
MCHR1 Q99705 1/20 0.45
SSTR5 P35346 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
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
SCHEMBL9536186 0.88 MAPT (0.56) POLBSSTR5SLC6A2SLC6A4TP53
SCHEMBL9536847 0.86 KCNH2 (0.49) POLBHRH1TACR2TACR1KCNH2
SCHEMBL10550102 0.85 GNRHR (0.51) POLBHRH1TACR2TACR1KCNH2
SCHEMBL9537486 0.85 POLB (0.48) POLBHRH1TACR2TACR1KCNH2
SCHEMBL10547215 0.85 POLB (0.49) POLBHRH1TACR2TACR1KCNH2
SCHEMBL10547164 0.84 KCNH2 (0.48) POLBOPRK1HRH1TACR2TACR1
SCHEMBL9536266 0.83 OPRK1 (0.51) POLBOPRK1HRH1TACR2TACR1
Oxalic Acid SCHEMBL10552513 0.83 SSTR5 (0.51) HRH1TACR2TACR1KCNH2NR4A2
SCHEMBL10549525 0.83 RAB9A (0.55) OPRK1HRH1TACR2TACR1KCNH2
SCHEMBL9539081 0.83 SLC6A2 (0.51) POLBHRH1TACR2TACR1KCNH2

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