SCHEMBL3686760

SCHEMBL3686760

CC(C)(CC1CC2CCC(C1)N2)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RIN1 Q13671 1/20 0.31
CHRNA7 P36544 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
SCHEMBL29187907 0.80 SLC6A2 (0.34) ATM
SCHEMBL28524387 0.77 NR1H2 (0.36)
SCHEMBL7550865 0.76 GABRA5 (0.39) ARG1ARG2
SCHEMBL28469067 0.75 SLC6A1 (0.50)
SCHEMBL28187856 0.75 SLC6A1 (0.50)
SCHEMBL3683641 0.74 THRA (0.36)
SCHEMBL28529272 0.74 THRA (0.36)
SCHEMBL24449794 0.73 ATM (0.34) ATMARG1ARG2
SCHEMBL15216752 0.73 ATM (0.34) ATMARG1ARG2
SCHEMBL12161958 0.73 ATM (0.34) ATMARG1ARG2

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
CN-108602770-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2022-02-08 CN disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 CN disclosed
EP-2239260-A1 Novel compounds with antibacterial activity Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2010-10-13 EP disclosed