SCHEMBL21600643

SCHEMBL21600643

Cc1cccc(C2CC2C(O)CO)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
HSD17B2 P37059 1/20 0.35
LPAR2 Q9HBW0 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
ALOX5 P09917 1/20 0.34
ALOX15B O15296 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
DPP4 P27487 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL14602807 0.73 HTR2C (0.68) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL8331072 0.73 HTR2C (0.47) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL25757049 0.72 SLC5A2 (0.37) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL8331608 0.71 HTR2A (0.45) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL8331728 0.71 ALOX5 (0.46) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL26764732 0.69 SLC5A2 (0.57)
SCHEMBL7092556 0.69 HTR2C (0.61) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL7002711 0.69 HTR2C (0.61) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL7002709 0.69 HTR2C (0.61) HTR2CHTR2ASLC6A4HTR2BSLC6A3
SCHEMBL18533592 0.68 SMN1; SMN2 (0.42) HTR2CHTR2AHTR2BSLC6A3DRD3

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-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed