SCHEMBL27515230

SCHEMBL27515230

CC[CH]CCCc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.50
▸ GFER P55789 1/20 0.50
▸ MAOA P21397 2/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP19A1 P11511 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ RECQL P46063 1/20 0.37

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
SCHEMBL27481978 0.86 MAOB (0.48) MAOBGFERMAOAHTR2AALDH1A1
SCHEMBL27482680 0.85 HTR2A (0.53) MAOBGFERMAOAHTR2AALDH1A1
SCHEMBL27481975 0.83 HTR2A (0.56) MAOBGFERHTR2AALDH1A1CYP3A4
SCHEMBL9150299 0.80 KCNH2 (0.45) MAOBALDH1A1TAAR1
SCHEMBL9152312 0.80 ESR1 (0.57) ALDH1A1CYP3A4TDP1CYP19A1TAAR1
SCHEMBL5795177 0.79 CHRM2 (0.48) MAOBMAOAHTR2ASIGMAR1
SCHEMBL9151393 0.77 CALM1 (0.55) MAOBALDH1A1CYP3A4TSHRTDP1
SCHEMBL111607 0.76 GFER (0.62) MAOBGFERMAOAHTR2AALDH1A1
SCHEMBL11823782 0.76 MAOB (0.50) MAOBGFERMAOAHTR2AALDH1A1
SCHEMBL11823774 0.76 MAOB (0.50) MAOBGFERMAOAHTR2AALDH1A1

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
CN-1173886-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element CHISSO CORP (JP) 1998-02-18 — — CN disclosed
Send feedback