SCHEMBL29316771

SCHEMBL29316771

CCC(C)[C@H]1CCCCN1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SHBG P04278 1/20 0.32

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
SCHEMBL9287662 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL25907131 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL8979972 0.98 CYP1A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL16404037 0.94 CHRNB4 (0.43) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL13179117 0.94 CHRNB4 (0.43) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL18526484 0.82 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL10147710 0.82 CHRNB4 (0.41) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL21567212 0.81 CYP1A2 (0.38) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL19881825 0.81 S1PR1 (0.36) SLC6A2SLC6A4SLC6A3CYP1A2CHRNB2
SCHEMBL25620081 0.81 S1PR1 (0.36) SLC6A2SLC6A4SLC6A3CYP1A2CHRNB2

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-2024148274-A1 COMPLEMENT INHIBITION APELLIS PHARMACEUTICALS, INC. (US) 2024-07-11 WO disclosed