SCHEMBL9535902

SCHEMBL9535902

Cc1ccc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
LMNA P02545 3/20 0.63
TP53 P04637 2/20 0.63
MAPT P10636 2/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CYP2D6 P10635 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HRH1 P35367 2/20 0.52
KCNH2 Q12809 2/20 0.52
HIF1A Q16665 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
ESR1 P03372 1/20 0.52
PGR P06401 1/20 0.52

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
SCHEMBL5626341 0.93 MEN1 (0.66) MEN1KMT2ALMNAMAPTCYP2D6
SCHEMBL9536543 0.89 SSTR5 (0.66) MEN1KMT2ALMNACYP2D6CYP1A2
SCHEMBL9540054 0.89 TP53 (0.59) MEN1KMT2ALMNATP53MAPT
SCHEMBL9535164 0.88 MEN1 (0.54) MEN1KMT2ALMNATP53MAPT
SCHEMBL9537835 0.88 SSTR5 (0.59) MEN1KMT2ALMNATP53MAPT
SCHEMBL9536730 0.86 SSTR5 (0.52) MEN1KMT2ALMNATP53MAPT
SCHEMBL8138405 0.85 MEN1 (0.51) MEN1KMT2ALMNATP53MAPT
SCHEMBL9536863 0.85 TP53 (0.54) MEN1KMT2ALMNATP53MAPT
SCHEMBL9537851 0.85 MEN1 (0.56) MEN1KMT2ALMNAMAPTCYP2D6
SCHEMBL9537178 0.84 MEN1 (0.50) MEN1KMT2ALMNATP53MAPT

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