SCHEMBL9538781

SCHEMBL9538781

COc1ncccc1C(=O)NCCN1CCC(Cc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.48
TACR2 P21452 2/20 0.48
TACR1 P25103 2/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 4/20 0.45
LMNA P02545 4/20 0.45
SSTR5 P35346 2/20 0.45
KCNH2 Q12809 2/20 0.45
EED O75530 2/20 0.45
CYP2D6 P10635 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
MLNR O43193 1/20 0.45
CACNA1F O60840 1/20 0.45
USP2 O75604 1/20 0.45
ABCB11 O95342 1/20 0.45
EGFR P00533 1/20 0.45
HLA-A P04439 1/20 0.45
ERBB2 P04626 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
SCHEMBL9537486 0.87 POLB (0.48) HRH1TACR2TACR1POLBTP53
SCHEMBL10547215 0.86 POLB (0.49) HRH1TACR2TACR1POLBSSTR5
SCHEMBL9536186 0.84 MAPT (0.56) POLBTP53SSTR5GAACHRM4
SCHEMBL9536266 0.83 OPRK1 (0.51) HRH1TACR2TACR1POLBTP53
SCHEMBL10550052 0.82 POLB (0.47) HRH1TACR2TACR1POLBTP53
SCHEMBL9536847 0.82 KCNH2 (0.49) HRH1TACR2TACR1POLBTP53
SCHEMBL9538348 0.82 POLB (0.49) HRH1TACR2TACR1POLBTP53
SCHEMBL10552594 0.81 LMNA (0.54) POLBTP53LMNAMAPT
SCHEMBL10550102 0.81 GNRHR (0.51) HRH1TACR2TACR1POLBTP53
SCHEMBL9536950 0.81 HRH1 (0.44) HRH1TACR2TACR1POLBTP53

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 3 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