SCHEMBL28258397

SCHEMBL28258397

BC(CCCC)(C(=O)O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.60
RIN1 Q13671 1/20 0.60
ARG1 P05089 1/20 0.52
ARG2 P78540 1/20 0.52
OPRM1 P35372 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
ACHE P22303 5/20 0.48
BCHE P06276 1/20 0.46

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
Hydrochloric Acid SCHEMBL28256892 0.92 ABL1 (0.54) ABL1RIN1ARG1ARG2OPRM1
SCHEMBL28256826 0.91 ARG1 (0.53) ABL1RIN1ARG1ARG2SIGMAR1
SCHEMBL28258433 0.88 ACHE (0.52) ABL1RIN1SIGMAR1ACHE
SCHEMBL28258405 0.87 ALDH1A1 (0.53) OPRM1SIGMAR1
SCHEMBL28256920 0.87 ARG1 (0.56) ABL1RIN1ARG1ARG2SIGMAR1
SCHEMBL28256965 0.85 CCR3 (0.47) ABL1RIN1
SCHEMBL28256889 0.84 ALDH1A1 (0.53) ABL1RIN1ARG1ARG2SIGMAR1
Hydrochloric Acid SCHEMBL28256857 0.84 TSHR (0.50) ABL1RIN1ACHEBCHE
SCHEMBL28258434 0.83 ACHE (0.52) ABL1RIN1OPRM1SIGMAR1ACHE
Hydrochloric Acid SCHEMBL28258438 0.83 CHRM3 (0.47) OPRM1

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
CN-104876955-B Arginase inhibitor and its treatment use 马尔斯公司 2018-11-23 CN disclosed