SCHEMBL28103616

SCHEMBL28103616

COc1cc(Cl)ccc1N1CCC(C=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL28103298 0.81 DRD2 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28103609 0.74 NOTUM (0.38) DRD2DRD4
SCHEMBL27380663 0.73 ALOX5 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27743313 0.72 ALOX5 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28103279 0.71 ALOX5 (0.46) ALDH1A1DRD2MAPTKDM4EPOLB
SCHEMBL28835067 0.69 ALOX5 (0.49) DRD2FFAR4MAPT
SCHEMBL31651894 0.69 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2869866 0.69 HTR3E (0.77) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28039321 0.67 ADRB1 (0.45) ALDH1A1MAPT
SCHEMBL28103632 0.67 ALOX5 (0.46) DRD2DRD4MAPT

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-106061950-A Method for producing pyrazole compound 住友化学株式会社 2016-10-26 — — CN disclosed
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