SCHEMBL7998078

SCHEMBL7998078

NC(CCc1c[nH]c2cccc(Cl)c12)OC(=O)/C=C/C(=O)OC(N)CCc1c[nH]c2cccc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.48
SLC6A4 P31645 1/20 0.45
NR4A2 P43354 1/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 1/20 0.39
GPR17 Q13304 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
DNMT1 P26358 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL7994177 0.86 GPR84 (0.48) GPR84HTR2AHTR2CGAANPSR1
SCHEMBL7997361 0.86 HTR2A (0.41) HTR2AHTR2CGAANPSR1MTNR1A
SCHEMBL7983657 0.80 GPR84 (0.49) GPR84SLC6A4HTR2AHTR2CNPSR1
SCHEMBL7983652 0.79 SLC6A4 (0.41) GPR84SLC6A4HTR2AHTR2CNPSR1
SCHEMBL7993961 0.77 HTR2A (0.53) GPR84SLC6A4HTR2AHTR2CMTNR1A
Oxalic Acid SCHEMBL2533945 0.72 HTR2C (0.60) GPR84SLC6A4NR4A2HTR2AHTR2C
SCHEMBL8001659 0.72 MPO (0.62) SLC6A4HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL7997830 0.72 HTR2A (0.53) GPR84SLC6A4NR4A2HTR2AHTR2C
SCHEMBL7994191 0.72 LMNA (0.44) HTR2AGAANPSR1MTNR1AMTNR1B
SCHEMBL16540351 0.72 GPR17 (0.69) GPR84SLC6A4NR4A2HTR2AHTR2C

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
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed