SCHEMBL13113993

SCHEMBL13113993

Cc1ccc([C@H]2CC2CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.59
HTR2B P41595 9/20 0.59
HTR2A P28223 7/20 0.59
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
CNR2 P34972 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL11965119 0.84 HTR2C (0.63) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL11902887 0.84 HTR2C (0.63) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL7026793 0.81 HTR2C (0.59) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL2829240 0.81 HTR2C (0.61) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL2830644 0.81 HTR2C (0.61) HTR2CHTR2BHTR2ASLC6A4SLC6A3
SCHEMBL24021995 0.81 HTR2C (0.65) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL6250305 0.80 HTR2C (0.63) HTR2CHTR2BHTR2AFFAR1MAOB
SCHEMBL25262357 0.80 HTR2C (0.59) HTR2CHTR2BHTR2ACYP1A2CYP3A4
SCHEMBL17004069 0.78 HTR2C (0.66) HTR2CHTR2BHTR2AALDH1A1CYP1A2
SCHEMBL23253682 0.78 CHRNB2 (0.41) HTR2CHTR2BHTR2ASLC6A4

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
EP-1689726-B1 5-(BENZ- (Z) -YLIDENE) -THIAZOLIDIN-4-ONE DERIVATIVES AS IMMUNOSUPPRESSANT AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-06 EP disclosed