SCHEMBL15728004

SCHEMBL15728004

CC1c2ccccc2OCC1(C)C

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.35
ABCB1 P08183 2/20 0.34

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
SCHEMBL8932584 0.79 MAOA (0.39)
SCHEMBL27670730 0.77 ATM (0.36) HTR2B
SCHEMBL27529161 0.75 HTR2B (0.33) HTR2BTMEM97SIGMAR1HTR1AHTR7
SCHEMBL1133294 0.70 HTR1A (0.35) HTR2BTMEM97SIGMAR1HTR1A
SCHEMBL17929070 0.69 KCNE1 (0.43) HTR2BABCB1
SCHEMBL15254619 0.69 KCNE1 (0.43) HTR2BABCB1
SCHEMBL29172253 0.69 HTR1A (0.37) HTR2BTMEM97SIGMAR1HTR1A
SCHEMBL29172254 0.69 HTR1A (0.37) HTR2BTMEM97SIGMAR1HTR1A
SCHEMBL29653988 0.69 HTR1A (0.37) HTR2BTMEM97SIGMAR1HTR1A
SCHEMBL26759117 0.69 HTR1A (0.37) HTR2BTMEM97SIGMAR1HTR1A

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-2014075874-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-22 WO disclosed