SCHEMBL20618549

SCHEMBL20618549

CC1CCN(C(=O)C(F)(F)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.55
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ GRM5 P41594 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ CHRM1 P11229 4/20 0.45
▸ CHRM3 P20309 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.43

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
SCHEMBL6647193 0.80 ACHE (0.54) ACHEGAAKMT2AGRM5CHRM1
SCHEMBL15015222 0.77 CHRM3 (0.76) CHRM1CHRM3CHRM2
SCHEMBL15127537 0.77 CHRM3 (0.76) CHRM1CHRM3CHRM2
SCHEMBL14628097 0.76 LMNA (0.50) GAAKMT2AEPHX2CHRM3SMN1; SMN2
SCHEMBL15127544 0.76 ACHE (0.49) ACHEGAAKMT2AGRM5CHRM1
SCHEMBL470951 0.74 ALDH1A1 (0.48) ACHEGAAKMT2AEPHX2NPC1
SCHEMBL13504041 0.74 HPGD (0.70) ACHEKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4311676 0.73 CYP2C9 (0.42) KMT2ACHRM1CHRM3CHRM4CHRM5
SCHEMBL11282002 0.73 ACHE (0.53) ACHEGAAKMT2AGRM5CHRM3
Fluorobenzene SCHEMBL27670265 0.72 ACHE (0.60) ACHEGAAKMT2AGRM5NPC1

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-2019003142-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 — — WO disclosed
Send feedback