SCHEMBL22201707

SCHEMBL22201707

CCCC1CC2CC(CN(C)C(=O)Cc3ccccc3)C1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CTSD P07339 1/20 0.38
CNR2 P34972 1/20 0.37
LTB4R Q15722 3/20 0.37
LTB4R2 Q9NPC1 3/20 0.37
SIGMAR1 Q99720 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALOX5 P09917 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRK1 P41145 1/20 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
SCHEMBL22201703 0.72 GLA (0.45) NPC1RAB9ASMN1; SMN2CYP3A4CYP2D6
SCHEMBL14415480 0.69 LTB4R (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8569413 0.69 NPC1 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22201801 0.67 NPC1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL13543090 0.66 USP30 (0.73) USP30CHRM2CHRM4CHRM5CHRM1
SCHEMBL1516137 0.66 NPC1 (0.75) NPC1RAB9ASMN1; SMN2
SCHEMBL13068896 0.65 GPR119 (0.46) USP30CHRM2CHRM4CHRM5CHRM1
SCHEMBL5294174 0.64 AKR1B1 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13068667 0.64 USP30 (0.86) USP30CHRM2CHRM4CHRM5CHRM1
SCHEMBL339507 0.63 CES2 (0.56) LTB4RLTB4R2NPC1RAB9AALOX5

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
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed