SCHEMBL9538238

SCHEMBL9538238

c1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 2/20 0.49
ALPL P05186 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
GRIN2B Q13224 1/20 0.47
SSTR5 P35346 1/20 0.44
GRM2 Q14416 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 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
SCHEMBL9536807 0.93 SSTR5 (0.50) MEN1KMT2ALMNAHTTCYP1A2
SCHEMBL9536155 0.86 USP2 (0.42) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL9537145 0.86 SLC6A9 (0.53) MEN1KMT2ANPSR1HTTTDP1
SCHEMBL9539219 0.85 HRH1 (0.42) MEN1KMT2ANPSR1LMNAALPL
SCHEMBL9538985 0.85 GRIN2B (0.45) LMNAGRIN2BGRM2CARM1PRMT6
SCHEMBL9538639 0.84 SSTR5 (0.48) MEN1KMT2ALMNAHTTCYP1A2
SCHEMBL8565529 0.84 GRIN2B (0.38) MEN1KMT2ANPSR1LMNAALPL
SCHEMBL9537110 0.83 SSTR5 (0.49) MEN1KMT2ALMNAHTTCYP1A2
SCHEMBL5626341 0.83 MEN1 (0.66) MEN1KMT2ANPSR1LMNAPKM
SCHEMBL9537238 0.83 KCNH2 (0.43) LMNAHTTCYP2D6SSTR5

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 1 patent. 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 claimed