SCHEMBL9827979

SCHEMBL9827979

N#Cc1ccc2[nH]cc(CCNCc3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.64
SLC6A4 P31645 5/20 0.59
MPO P05164 1/20 0.59
MC5R P33032 2/20 0.52
MC3R P41968 2/20 0.52
MC1R Q01726 2/20 0.52
CDK2 P24941 1/20 0.52
SNCA P37840 1/20 0.52
KMT2A Q03164 2/20 0.51

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
SCHEMBL5947115 0.88 KMT2A (0.59) HTR2ASLC6A4MPOMC5RMC3R
SCHEMBL5292952 0.85 MC5R (0.66) HTR2AMC5RMC3RMC1RCDK2
SCHEMBL27842093 0.82 SLC6A4 (0.64) SLC6A4
SCHEMBL25076892 0.81 HTR2A (0.68) HTR2ASLC6A4MPOKMT2A
SCHEMBL2405136 0.81 MPO (0.86) HTR2ASLC6A4MPO
SCHEMBL11069253 0.81 SNCA (0.71) HTR2ASLC6A4MPOMC5RMC3R
SCHEMBL5947493 0.81 HTR2A (0.56) HTR2ASLC6A4MPOMC5RMC3R
SCHEMBL4840057 0.81 SLC6A4 (0.54) SLC6A4MPO
SCHEMBL5899817 0.80 MEN1 (0.59) SLC6A4SNCAKMT2A
SCHEMBL830201 0.80 MC5R (0.79) HTR2AMC5RMC3RMC1RKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225726-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
US-4833153-A VASOCONSTRICTORS, MIGRAINES GLAXO GROUP LIMITED (GB) 1989-05-23 US disclosed
EP-0225726-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1987-06-16 EP disclosed