SCHEMBL22100738

SCHEMBL22100738

O=C(CCc1ccc2c(c1)CCO2)N(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.69
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
CHRM5 P08912 5/20 0.49
CHRM1 P11229 5/20 0.49
CHRM4 P08173 3/20 0.49
CHRM3 P20309 3/20 0.49
CHRM2 P08172 2/20 0.49
KCNH2 Q12809 2/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
KCNE1 P15382 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL81136 0.82 FABP4 (0.58) TRPM8RAB9ANPC1POLBCHRM5
SCHEMBL11695822 0.82 TRPM8 (1.00) TRPM8RAB9ANPC1CTNNB1WNT3A
SCHEMBL27605521 0.81 RAB9A (0.51) TRPM8RAB9ANPC1POLBCHRM5
SCHEMBL18007683 0.78 RAB9A (0.49) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL1405119 0.78 RAB9A (0.50) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL5066638 0.77 MAOA (0.53) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL9670805 0.77 FFAR4 (0.55) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL338133 0.75 CYP4F2 (0.51) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL1382287 0.75 RAB9A (0.49) RAB9ANPC1POLBCHRM5CHRM1
SCHEMBL12655458 0.74 TRPM8 (0.60) TRPM8RAB9ANPC1POLB

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-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 EP disclosed