SCHEMBL9537733

SCHEMBL9537733

NCCN1CCC(Cc2nc3ccncc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
SSTR5 P35346 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9538842 0.87 SSTR5 (0.52) ENPP2SSTR5CYP2D6RAB9A
SCHEMBL9536663 0.87 RAB9A (0.55) LMNAHTTMAPTTP53SMN1; SMN2
SCHEMBL9537238 0.85 KCNH2 (0.43) ENPP2HPGDLMNAHTTMAPT
SCHEMBL9535904 0.83 KCNH2 (0.54) ENPP2HPGDLMNAHTTMAPT
SCHEMBL9537190 0.81 PRMT3 (0.44) PRMT3CARM1PRMT6PRMT1PRMT8
Oxalic Acid SCHEMBL9537934 0.81 HRH1 (0.56) ENPP2HPGDLMNAHTTMAPT
Oxalic Acid SCHEMBL9537337 0.81 ENPP2 (0.44) ENPP2HPGDLMNAHTTMAPT
Oxalic Acid SCHEMBL9537930 0.81 HRH1 (0.56) ENPP2HPGDLMNAHTTMAPT
Oxalic Acid SCHEMBL9537334 0.81 ENPP2 (0.44) ENPP2HPGDLMNAHTTMAPT
SCHEMBL9537085 0.80 SLC6A9 (0.58) ENPP2LMNAMAPTTP53POLB

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