SCHEMBL7997361

SCHEMBL7997361

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.41
CYP2A6 P11509 1/20 0.40
HTR2C P28335 1/20 0.39
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
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 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) HTR2AHTR2CGAANPSR1MTNR1A
SCHEMBL7998078 0.86 GPR84 (0.48) HTR2AHTR2CGAANPSR1MTNR1A
SCHEMBL7983657 0.80 GPR84 (0.49) HTR2AHTR2CNPSR1MEN1KMT2A
SCHEMBL7997830 0.77 HTR2A (0.53) HTR2AHTR2CNPSR1MTNR1AMTNR1B
SCHEMBL7993961 0.72 HTR2A (0.53) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL7994191 0.72 LMNA (0.44) HTR2AGAANPSR1MTNR1AMTNR1B
SCHEMBL8001659 0.72 MPO (0.62) HTR2AHTR2CMTNR1AMTNR1BKMT2A
SCHEMBL18509280 0.72 GPR17 (0.55) HTR2ACYP2A6HTR2CGAANPSR1
SCHEMBL7983652 0.71 SLC6A4 (0.41) HTR2AHTR2CNPSR1MTNR1AMTNR1B
SCHEMBL18029238 0.71 KMT2A (0.62) HTR2ACYP2A6HTR2CGAANPSR1

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