SCHEMBL9537805

SCHEMBL9537805

COc1ccc2nc(CC3CCN(Cc4ccccc4)CC3)n(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.56
KCNH2 Q12809 2/20 0.49
EED O75530 2/20 0.49
TACR2 P21452 2/20 0.49
TACR1 P25103 2/20 0.49
HRH1 P35367 2/20 0.49
HTR1A P08908 2/20 0.49
SLC6A4 P31645 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
USP2 O75604 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HLA-A P04439 1/20 0.49
ERBB2 P04626 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
LCK P06239 1/20 0.49

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
SCHEMBL9537818 0.93 SSTR5 (0.56) SSTR5KCNH2EEDTACR2TACR1
SCHEMBL9537835 0.86 SSTR5 (0.59) SSTR5KCNH2HRH1MEN1LMNA
Oxalic Acid SCHEMBL10549059 0.86 TACR2 (0.54) SSTR5KCNH2EEDTACR2TACR1
Oxalic Acid SCHEMBL10549069 0.86 TACR2 (0.54) SSTR5KCNH2EEDTACR2TACR1
SCHEMBL10547393 0.85 KCNH2 (0.46) SSTR5KCNH2MEN1DRD2DRD4
SCHEMBL9536543 0.85 SSTR5 (0.66) SSTR5KCNH2HRH1MEN1ABCB11
SCHEMBL9537829 0.85 KCNH2 (0.58) SSTR5KCNH2TBXA2RHTR3A
SCHEMBL10550116 0.84 HTR1A (0.55) SSTR5KCNH2EEDTACR2TACR1
Oxalic Acid SCHEMBL10549021 0.84 KMT2A (0.53) MEN1LMNADRD2DRD4KMT2A
Oxalic Acid SCHEMBL10549014 0.84 KMT2A (0.53) MEN1LMNADRD2DRD4KMT2A

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