SCHEMBL27627078

SCHEMBL27627078

CC(C)(CCc1cccc(Cl)c1)OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.48
▸ HTR3B O95264 3/20 0.48
▸ HTR3A P46098 3/20 0.48
▸ HTR3D Q70Z44 3/20 0.48
▸ HTR3C Q8WXA8 3/20 0.48
▸ GRM2 Q14416 1/20 0.47
▸ GRM3 Q14832 1/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.46
▸ AOC3 Q16853 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL27811501 0.84 REN (0.40) GRM2GRM3SMN1; SMN2
SCHEMBL27729878 0.84 LOXL2 (0.44) GRM2GRM3ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL3068348 0.84 GRM2 (0.47) GRM2GRM3ALDH1A1
SCHEMBL27627069 0.83 TAAR1 (0.46) TAAR1RIPK1MEN1KMT2AIDO1
SCHEMBL27831468 0.83 GRM2 (0.37) GRM2GRM3
SCHEMBL27643671 0.83 TAAR1 (0.46) TAAR1RIPK1IDO1AGXT
SCHEMBL27621459 0.83 GRM2 (0.37) GRM2GRM3
SCHEMBL27987390 0.83 GRM2 (0.37) GRM2GRM3MEN1KMT2A
SCHEMBL28776111 0.82 NOS1 (0.36) GRM2GRM3KDM4E
SCHEMBL26697028 0.82 LMNA (0.49) GRM2GRM3POLBMEN1ALDH1A1

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-1745074-A 5-HT receptor ligands and uses thereof PFIZER PROD INC (US) 2006-03-08 — — CN disclosed
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