SCHEMBL10462765

SCHEMBL10462765

CN(C)C1Cc2ccccc2Oc2c(cc(Cl)cc2/C(=C/C(=O)O)C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ HTR2B P41595 9/20 0.32
▸ HTR2A P28223 8/20 0.32
▸ HTR2C P28335 8/20 0.32
▸ HRH3 Q9Y5N1 8/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL10462764 0.83 SIGMAR1 (0.35) HTR1AHTR7HTR2BHTR2AHTR2C
Fumaric Acid SCHEMBL10462766 0.76 HRH2 (0.51) HTR2BHTR2AHTR2CHRH3SLC6A2
SCHEMBL10463903 0.68 MAOA (0.50) HTR1AHTR7HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL10463419 0.67 MAOA (0.48) HTR2BHTR2AHTR2CHRH3SIGMAR1
SCHEMBL2248107 0.58 DRD3 (0.54) HTR1AHTR7HTR2BHTR2AHTR2C
SCHEMBL31808827 0.58 DRD3 (0.54) HTR1AHTR7HTR2BHTR2AHTR2C
SCHEMBL10618240 0.57 HTR1A (0.47) HTR1AHTR7HTR2BHTR2AHTR2C
SCHEMBL4220850 0.57 PTGS1 (0.41) —
SCHEMBL11462012 0.57 DRD2 (0.50) HTR1AHTR7HTR2BHTR2AHTR2C
SCHEMBL9266762 0.56 HRH2 (0.56) HTR1AHTR7HTR2BHTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904688-A Tricyclic amine derivatives AKZO N.V. (NL) 1990-02-27 — — US disclosed
EP-0332246-A1 Tricyclic amine derivatives AKZO N.V. (NL) 1989-09-13 — — EP disclosed
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