SCHEMBL9537178

SCHEMBL9537178

Cc1ccc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3ccccc32)o1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR3 P51677 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
GRM2 Q14416 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SSTR5 P35346 1/20 0.43

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
SCHEMBL9382748 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL8565760 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL5626341 0.86 MEN1 (0.66) MEN1KMT2AALDH1A1CYP1A2CYP2D6
Acetic Acid SCHEMBL9593584 0.86 ALDH1A1 (0.46) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9384112 0.85 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9535902 0.84 MEN1 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9539854 0.84 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9593592 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL9536944 0.83 KCNH2 (0.49) CYP2D6MAPTHTT
SCHEMBL8138405 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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