SCHEMBL19775441

SCHEMBL19775441

Cc1ccc(C(C)CCCl)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
GPR139 Q6DWJ6 2/20 0.32
PDE2A O00408 2/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
NFE2L2 Q16236 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9688997 0.81 SRC (0.41) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL18653244 0.81 SRC (0.39) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL13813774 0.79 TSHR (0.39) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL20228717 0.76 CYP3A4 (0.38) SLC6A2MAPTALDH1A1
SCHEMBL84448 0.74 TRPA1 (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A
Ammonia Solution, Strong SCHEMBL7992434 0.72 TRPA1 (0.43) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20113279 0.72 TRPA1 (0.38) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL13345087 0.71 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL17769044 0.71 PDE2A (0.58) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL18103172 0.71 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A

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-3019476-B1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-17 EP disclosed