SCHEMBL7519147

SCHEMBL7519147

CCSCc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR2B P41595 2/20 0.53
HTR2C P28335 1/20 0.53
EPHX1 P07099 6/20 0.52
TAAR1 Q96RJ0 1/20 0.51
IDO1 P14902 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
OPRK1 P41145 1/20 0.50
DAO P14920 1/20 0.48
ACP3 P15309 1/20 0.47
MIF P14174 1/20 0.46
GFER P55789 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL23927275 0.89 TAAR1 (0.58) HTR2AHTR2BHTR2CEPHX1TAAR1
SCHEMBL13778151 0.84 ACHE (0.39) HTR2AHTR2BHTR2CEPHX1RAB9A
SCHEMBL25464631 0.83 EPHX1 (0.50) HTR2AHTR2BHTR2CEPHX1TAAR1
SCHEMBL1145952 0.81 HTR2A (0.56) HTR2AHTR2BHTR2CEPHX1TAAR1
SCHEMBL23927281 0.81 TAAR1 (0.58) HTR2AHTR2BHTR2CEPHX1TAAR1
SCHEMBL46757 0.81 HTR2A (0.63) HTR2AHTR2BHTR2CEPHX1TAAR1
SCHEMBL20734675 0.80 ACHE (0.46) TAAR1IDO1LMNARAB9A
SCHEMBL15023045 0.79 TAAR1 (0.62) HTR2AHTR2BHTR2CEPHX1TAAR1
Ammonia Solution, Strong SCHEMBL266843 0.79 HTR2A (0.61) HTR2AHTR2BHTR2CEPHX1TAAR1
SCHEMBL14382766 0.78 EPHX1 (0.49) HTR2AHTR2BHTR2CEPHX1TAAR1

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-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed