SCHEMBL9204071

SCHEMBL9204071

COc1ccc(Oc2ccc3[nH]cc(C(C)N)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.60
HTR2A P28223 4/20 0.60
HTR2C P28335 4/20 0.60
HTR1A P08908 2/20 0.53
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SRC P12931 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
CYP1A2 P05177 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
HTR4 Q13639 1/20 0.46
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL30888858 0.91 HTR2B (0.71) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL9211145 0.89 HTR2B (0.50) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL9202189 0.83 HTR2B (0.54) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL9210783 0.80 LMNA (0.48) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL9203861 0.80 HTR2B (0.50) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL12180277 0.79 HTR2B (0.70) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL9206198 0.78 THRA (0.44) HTR2BHTR2AHTR2CHTR1ATRPM8
SCHEMBL24766434 0.75 HTR2B (1.00) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL17817943 0.75 HTR2B (0.74) HTR2BHTR2AHTR2CHTR1AMTNR1A
SCHEMBL9673757 0.75 HTR2B (1.00) HTR2BHTR2AHTR2CHTR1AMTNR1A

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