SCHEMBL9211145

SCHEMBL9211145

Cc1ccc(Oc2ccc3[nH]cc(C(C)N)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR1A P08908 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
MAPT P10636 1/20 0.41
THRA P10827 6/20 0.41
THRB P10828 6/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TEAD4 Q15561 1/20 0.39

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
SCHEMBL9204071 0.89 HTR2B (0.60) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL9213440 0.83 HTR2A (0.45) HTR2BHTR2AHTR2CTRPM8MAPT
SCHEMBL30888858 0.82 HTR2B (0.71) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL9210783 0.80 LMNA (0.48) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL9203861 0.80 HTR2B (0.50) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL25553512 0.79 MAPT (0.48) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL9206198 0.78 THRA (0.44) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL8869778 0.75 SCN9A (0.45) MAPTTHRATHRBMTNR1AMTNR1B
SCHEMBL8409476 0.74 HTR2A (0.47) HTR2BHTR2AHTR2CHTR1AMAPT
SCHEMBL4406284 0.73 HTR2A (0.50) HTR2BHTR2AHTR2CHTR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed