SCHEMBL18653244

SCHEMBL18653244

Cc1ccc([C@H](C)CCC(C)c2cc(C)c(C)cc2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
GPR139 Q6DWJ6 2/20 0.31
PDE2A O00408 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
POLB P06746 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
SCHEMBL19775441 0.81 SRC (0.40) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL13813774 0.78 TSHR (0.39) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL18653291 0.74 NR3C1 (0.35)
SCHEMBL18653225 0.74 SRC (0.32) SRC
SCHEMBL84448 0.73 TRPA1 (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A
Ammonia Solution, Strong SCHEMBL7992434 0.71 TRPA1 (0.43) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL23222414 0.71 ACHE (0.37) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL20113279 0.71 TRPA1 (0.38) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL18653249 0.71 LOXL2 (0.30)
SCHEMBL18103172 0.70 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-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed