SCHEMBL9539005

SCHEMBL9539005

COc1ccc(CCN2CCC(Cc3nc4ccccc4n3Cc3ccccc3F)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KCNH2 Q12809 7/20 0.61
HRH1 P35367 3/20 0.57
HTR1A P08908 2/20 0.57
TACR2 P21452 2/20 0.57
TACR1 P25103 2/20 0.57
SLC6A4 P31645 2/20 0.57
EED O75530 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MLNR O43193 1/20 0.57
CACNA1F O60840 1/20 0.57
USP2 O75604 1/20 0.57
ABCB11 O95342 1/20 0.57
EGFR P00533 1/20 0.57
LMNA P02545 1/20 0.57
HLA-A P04439 1/20 0.57
ERBB2 P04626 1/20 0.57

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
SCHEMBL9540175 0.89 KCNH2 (0.71) TP53MAPTSMN1; SMN2KCNH2HRH1
Hydrochloric Acid SCHEMBL9537707 0.86 KCNH2 (0.58) TP53MAPTSMN1; SMN2KCNH2HRH1
SCHEMBL9538993 0.85 KCNH2 (0.53) TP53MAPTSMN1; SMN2KCNH2HRH1
Hydrochloric Acid SCHEMBL10798502 0.85 KCNH2 (0.57) TP53MAPTSMN1; SMN2KCNH2HRH1
Oxalic Acid SCHEMBL9538776 0.84 TACR2 (0.53) TP53MAPTSMN1; SMN2KCNH2HRH1
Oxalic Acid SCHEMBL10548091 0.84 TACR2 (0.53) TP53MAPTSMN1; SMN2KCNH2HRH1
Oxalic Acid SCHEMBL10548095 0.84 TACR2 (0.53) TP53MAPTSMN1; SMN2KCNH2HRH1
SCHEMBL9536010 0.84 HRH1 (0.55) TP53MAPTSMN1; SMN2KCNH2HRH1
SCHEMBL9540338 0.82 KCNH2 (0.51) TP53MAPTSMN1; SMN2KCNH2HRH1
Hydrochloric Acid SCHEMBL9540285 0.82 KCNH2 (0.55) TP53MAPTSMN1; SMN2KCNH2HRH1

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