SCHEMBL9537835

SCHEMBL9537835

COc1ccc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.59
ALDH1A1 P00352 3/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH1 P35367 1/20 0.54
KCNH2 Q12809 1/20 0.54
TBXA2R P21731 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53

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 0.90 MEN1 (0.66) SSTR5ALDH1A1CYP2D6MEN1CYP1A2
SCHEMBL9537631 0.89 HRH1 (0.54) SSTR5ALDH1A1CYP2D6MEN1CYP1A2
SCHEMBL9535902 0.88 MEN1 (0.63) SSTR5ALDH1A1CYP2D6MEN1CYP1A2
SCHEMBL23696356 0.87 CYP2D6 (0.57) SSTR5ALDH1A1CYP2D6MEN1CYP1A2
SCHEMBL9537818 0.86 SSTR5 (0.56) SSTR5ALDH1A1CYP2D6MEN1CYP1A2
SCHEMBL9537805 0.86 SSTR5 (0.56) SSTR5CYP2D6MEN1CYP1A2CYP2C19
SCHEMBL9536724 0.86 LMNA (0.58) ALDH1A1SMN1; SMN2TP53HTTMAPT
SCHEMBL9536543 0.86 SSTR5 (0.66) SSTR5ALDH1A1CYP2D6MEN1CYP1A2
Hydrochloric Acid SCHEMBL9537707 0.86 KCNH2 (0.58) SSTR5CYP2D6MEN1CYP1A2CYP2C19
SCHEMBL9540175 0.86 KCNH2 (0.71) SSTR5CYP2D6MEN1CYP1A2CYP2C19

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