SCHEMBL4780781

SCHEMBL4780781

COCCOc1ccc(CCN2CCC(N)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ HTR1A P08908 6/20 0.39
▸ SLC6A4 P31645 6/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HRH2 P25021 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL4776011 0.88 KMT2A (0.50) SLC6A4P2RY12MEN1KMT2AALDH1A1
SCHEMBL4777966 0.86 MEN1 (0.50) SPHK1KCNH2MEN1KMT2AALDH1A1
SCHEMBL4849119 0.79 MEN1 (0.48) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL4849122 0.79 MEN1 (0.48) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL4846033 0.74 MEN1 (0.36) P2RY12MEN1KMT2AALDH1A1TSHR
SCHEMBL5243868 0.74 LMNA (0.45) HTR2AHTR1AMEN1KMT2A
SCHEMBL4781622 0.74 MEN1 (0.43) KCNH2MEN1KMT2AALDH1A1TSHR
SCHEMBL4780780 0.73 P2RY12 (0.34) HTR1ASLC6A4P2RY12
SCHEMBL14290896 0.73 MEN1 (0.37) KCNH2P2RY12MEN1KMT2AALDH1A1
SCHEMBL5241842 0.73 LMNA (0.43) HTR2AMEN1KMT2A

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
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 — — WO disclosed
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