SCHEMBL19983830

SCHEMBL19983830

CNCc1c[nH]c2cc(Nc3ccc(OC)cc3F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTR6 P50406 2/20 0.44
GPR84 Q9NQS5 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR4 Q13639 2/20 0.40
MAPK14 Q16539 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CDK2 P24941 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
SCHEMBL19984215 0.88 GAA (0.47) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19984242 0.86 HTR2A (0.44) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19984003 0.86 GPR84 (0.50) HTR2AHTR6GPR84MAPK14HTR1A
SCHEMBL19983754 0.85 HTR2A (0.45) HTR2AGPR84HTR1DKDM4EALDH1A1
SCHEMBL19983831 0.85 HTR2A (0.49) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19984134 0.84 HTR2A (0.41) HTR2AMEN1KMT2AHTR6GPR84
SCHEMBL19983772 0.84 GPR84 (0.48) HTR2AGPR84CYP1A2TRPM8
SCHEMBL19984124 0.83 GPR84 (0.42) HTR2AMEN1KMT2AGPR84HTR1A
SCHEMBL19983711 0.82 CDK2 (0.40) HTR2AGPR84CDK2
SCHEMBL19983741 0.82 AKR1C3 (0.51) HTR2AMEN1KMT2AMTNR1AMTNR1B

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed