SCHEMBL27465384

SCHEMBL27465384

CCC(C(=O)O)C1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 5/20 0.56
CPB2 Q96IY4 5/20 0.56
SLC6A1 P30531 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRB2 P47870 2/20 0.40
SLC6A12 P48065 2/20 0.40
SLC6A11 P48066 2/20 0.40
SLC6A13 Q9NSD5 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRR1 P24046 1/20 0.40
GABRA4 P48169 1/20 0.40
CPA1 P15085 1/20 0.34
OPRD1 P41143 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
Bromide SCHEMBL27157473 0.98 CPN1 (0.54) CPN1CPB2SLC6A1GABRA5GABRB2
Bromide SCHEMBL27157552 0.98 CPN1 (0.54) CPN1CPB2SLC6A1GABRA5GABRB2
SCHEMBL7689250 0.89 CPN1 (0.71) CPN1CPB2SLC6A1GABRA5GABRB2
SCHEMBL1775857 0.89 CPN1 (0.67) CPN1CPB2SLC6A1GABRA5GABRB2
Hydrochloric Acid SCHEMBL22443992 0.88 CPN1 (0.69) CPN1CPB2SLC6A1GABRA5GABRB2
Hydrochloric Acid SCHEMBL910525 0.87 CPN1 (0.65) CPN1CPB2SLC6A1GABRA5GABRB2
SCHEMBL28377764 0.84 CPN1 (0.44) CPN1CPB2CPA1
SCHEMBL2435719 0.84 CPN1 (0.42) CPN1CPB2SLC6A1GABRA5GABRB2
SCHEMBL28256860 0.83 CPN1 (0.50) CPN1CPB2SLC6A1GABRA5GABRB2
SCHEMBL28256861 0.83 CPN1 (0.50) CPN1CPB2SLC6A1GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1133637-C Immunosuppressive compounds and methods �꼪 2004-01-07 CN disclosed
CN-1246121-A Immunosuppressive compounds and methods PHARMAGENESIS INC (US) 2000-03-01 CN disclosed