SCHEMBL23555035

SCHEMBL23555035

CN1CCC(C)(C(=O)N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRMT1 Q99873 1/20 0.33
FFAR3 O14843 1/20 0.32
HTR1A P08908 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRD1 P41143 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
SCHEMBL12261108 0.81
SCHEMBL19187973 0.81 DRD2 (0.39) DRD2PRMT1FFAR3
SCHEMBL3477725 0.78 DRD2 (0.46) DRD2PRMT1SMN1; SMN2OPRD1
SCHEMBL18505961 0.77 DRD2 (0.30) DRD2
SCHEMBL24127261 0.77 CYP1A2 (0.32) SCN1ASCN2ASCN3ACYP1A2TDP1
SCHEMBL14984980 0.77 HSD11B1 (0.41) DRD2PRMT1FFAR3TSHRSMN1; SMN2
SCHEMBL25157364 0.77 FFAR3 (0.38) DRD2PRMT1FFAR3TSHRSMN1; SMN2
SCHEMBL2055524 0.75 HSD11B1 (0.44) DRD2FFAR3SMN1; SMN2
SCHEMBL16892268 0.75 CYP1A2 (0.42) SCN1ASCN2ASCN3ACYP1A2TDP1
SCHEMBL2055540 0.75 FFAR3 (0.62) DRD2SCN1ASCN2ASCN3ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed