SCHEMBL7983645

SCHEMBL7983645

COc1ccc2ccn(C[C@@](C)(N)C(C(C)N)n3cc(C)c4ccc(OC)cc43)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
HTR2A P28223 4/20 0.40
HTR7 P34969 1/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
HTR2B P41595 1/20 0.34
MCL1 Q07820 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL7983641 0.75 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL7983649 0.75 HTR2C (0.63) HTR2CHTR2AHTR2B
SCHEMBL7997598 0.68 HTR2C (0.81) HTR2CHTR2AHTR2B
SCHEMBL7093740 0.68 HTR2C (0.81) HTR2CHTR2AHTR2B
SCHEMBL24109929 0.66 HTR2C (0.62) HTR2CHTR2AHTR7MTNR1AMTNR1B
SCHEMBL7995774 0.66 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL24110213 0.64 HTR2C (0.60) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL18997057 0.64 HTR2C (0.59) HTR2CHTR2AMTNR1AMTNR1BKDM4E
SCHEMBL980885 0.64 HTR2C (0.65) HTR2CHTR2AHTR7MTNR1AMTNR1B
SCHEMBL13662241 0.63 HTR2C (0.65) HTR2CHTR2AHTR7MTNR1AMTNR1B

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 claimed