SCHEMBL1399358

SCHEMBL1399358

COc1ccc2[nH]cc(Sc3ccc(F)cc3CCN)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.50
IDO1 P14902 1/20 0.46
MPO P05164 4/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
HTR1A P08908 6/20 0.43
KMT2A Q03164 2/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL1399451 0.88 HTR2A (0.63) HTR2AIDO1MPOTRPM8HTR1A
SCHEMBL1399356 0.86 IDO1 (0.47) HTR2AIDO1MPOHTR1ATUBB4A
SCHEMBL1399345 0.85 HTR2A (0.50) HTR2AIDO1MPOTRPM8HTR1A
SCHEMBL1399254 0.84 MPO (0.49) HTR2AIDO1MPOHTR1AKMT2A
SCHEMBL1399425 0.82 HTR2A (0.49) HTR2AIDO1MPOTRPM8HTR1A
SCHEMBL1399353 0.82 IDO1 (0.45) HTR2AIDO1TRPM8HTR1AKMT2A
SCHEMBL4632929 0.81 IDO1 (0.55) HTR2AIDO1MPOTRPM8HTR1A
SCHEMBL1399427 0.80 HTR2A (0.59) HTR2AIDO1MPOTRPM8HTR1A
SCHEMBL1399314 0.80 HTR2A (0.62) HTR2AIDO1TRPM8HTR1ATUBB4A
SCHEMBL1399265 0.79 HTR2A (0.60) HTR2AIDO1MPOTRPM8HTR1A

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
EP-1860100-B1 2-(1H-indolylsulfanyl)-benzyl amine derivatives as SSRI LUNDBECK & CO AS H (DK) 2011-03-02 EP claimed