SCHEMBL6922144

SCHEMBL6922144

COc1ccc2c(c1)c(OCCN(C)C)c(-c1ccccc1)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
HTR6 P50406 2/20 0.51
PLA2G2A P14555 9/20 0.49
GRIK2 Q13002 1/20 0.48
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PLA2G1B P04054 1/20 0.46
MAPT P10636 2/20 0.45
NTRK1 P04629 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6821103 0.90 ESR1 (0.50) ESR1HTR6PLA2G2AKMT2AMAPT
SCHEMBL6917019 0.87 ESR1 (0.48) ESR1KMT2AMAPT
SCHEMBL6820985 0.87 KMT2A (0.56) HTR6PLA2G2AKMT2ATSHRMAPK1
SCHEMBL6820250 0.85 ESR1 (0.47) ESR1HTR6KMT2AMAPK1MAPT
SCHEMBL6817304 0.81 ESR1 (0.43) ESR1HTR6
SCHEMBL3557475 0.80 HTR6 (0.45) HTR6GRIK2KMT2ATSHRMAPT
SCHEMBL3558463 0.78 HTR6 (0.60) HTR6
SCHEMBL6821005 0.78 HTR6 (0.53) HTR6PLA2G2AKMT2ATSHR
SCHEMBL6821058 0.77 PLA2G2A (0.57) PLA2G2AGRIK2KMT2ATSHRMAPK1
SCHEMBL3556528 0.77 HTR6 (0.53) HTR6

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-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO claimed