SCHEMBL9213440

SCHEMBL9213440

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
SRC P12931 2/20 0.41
THRA P10827 9/20 0.40
THRB P10828 9/20 0.40
MAPT P10636 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9202189 0.89 HTR2B (0.54) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL9208221 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL20970887 0.84 TP53 (0.46) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL9211145 0.83 HTR2B (0.50) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL4796985 0.83 HTR2B (0.63) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL9204210 0.81 LMNA (0.46) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL31134129 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL9205685 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL9203858 0.79 THRA (0.43) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL38657787 0.74 HTR1D (0.61) HTR1DHTR1BSRCMAPTTRPM8

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
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