SCHEMBL4248885

SCHEMBL4248885

ClC1CCCN(c2ccc3c(n2)CCNCC3)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.53
HTR2A P28223 10/20 0.53
HTR2B P41595 9/20 0.36
DGAT2 Q96PD7 3/20 0.33
HTR6 P50406 1/20 0.33
MAP4K4 O95819 3/20 0.32
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL4015795 0.82 HTR2C (0.71) HTR2CHTR2AHTR2BHTR6MLNR
SCHEMBL4006035 0.81 HTR2C (0.69) HTR2CHTR2AHTR2BHTR6MLNR
SCHEMBL4010697 0.81 HTR2C (0.69) HTR2CHTR2AHTR2BHTR6MLNR
SCHEMBL4009889 0.79 HTR2A (0.39) HTR2CHTR2ADGAT2
SCHEMBL4203438 0.79 HTR2A (0.52) HTR2CHTR2AMAP4K4CYP2D6
SCHEMBL4010604 0.78 HTR2C (0.75) HTR2CHTR2AHTR2BHTR6
SCHEMBL4015920 0.77 HTR2C (0.79) HTR2CHTR2AHTR2BHTR6
SCHEMBL4010686 0.77 HTR2C (0.60) HTR2CHTR2AHTR2BHTR6MLNR
SCHEMBL4207589 0.76 HTR2C (0.56) HTR2CHTR2AHTR6
SCHEMBL4353943 0.76 HTR2C (0.49) HTR2CHTR2AHTR6MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094695-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS Cascade Therapeutics Inc. (CA) 2009-09-02 EP claimed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 WO claimed