SCHEMBL9538447

SCHEMBL9538447

Cc1nc2ccccc2c(=O)n1CCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
SSTR5 P35346 3/20 0.49
KCNH2 Q12809 4/20 0.49
CYP2D6 P10635 3/20 0.49
CHRM1 P11229 3/20 0.49
HRH1 P35367 3/20 0.49
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
EED O75530 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL9540573 0.89 SLC6A9 (0.52) GAAMEN1KMT2ALMNATP53
SCHEMBL9535634 0.87 RAB9A (0.46) GAASSTR5KCNH2CYP2D6CHRM1
SCHEMBL9741243 0.85 SSTR5 (0.70) GAASSTR5KCNH2CYP2D6CHRM1
SCHEMBL9537082 0.84 HTR2A (0.56) KCNH2CYP2D6HRH1MEN1KMT2A
Hydrochloric Acid SCHEMBL9537429 0.83 GAA (0.52) GAAMEN1KMT2AUSP2LMNA
SCHEMBL9696461 0.83 GAA (0.49) GAASSTR5KCNH2CYP2D6CHRM1
SCHEMBL9536935 0.82 NPSR1 (0.55) SSTR5KCNH2CYP2D6CHRM1HRH1
SCHEMBL9536543 0.81 SSTR5 (0.66) SSTR5KCNH2CYP2D6CHRM1HRH1
Hydrochloric Acid SCHEMBL10550967 0.81 NOS2 (0.42) SSTR5KCNH2CYP2D6CHRM1HRH1
SCHEMBL9537554 0.81 HRH1 (0.63) GAASSTR5KCNH2CYP2D6CHRM1

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