SCHEMBL20236236

SCHEMBL20236236

C[C@@H]1CN(Cc2ccccc2)C[C@H](C)N1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
ACHE P22303 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
HRH2 P25021 1/20 0.45
MC4R P32245 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GBA1 P04062 1/20 0.43

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
SCHEMBL18426835 0.80 FUCA1 (0.55) FUCA1ACHESIGMAR1HRH2MC4R
SCHEMBL20454498 0.80 FUCA1 (0.55) FUCA1ACHESIGMAR1HRH2MC4R
SCHEMBL22593919 0.78 FUCA1 (0.61) FUCA1ACHESIGMAR1MC4RS1PR1
SCHEMBL2621402 0.77 FUCA1 (0.60) FUCA1ACHESIGMAR1MC4RMAPT
SCHEMBL20901984 0.77 FUCA1 (0.60) FUCA1ACHESIGMAR1MC4RMAPT
SCHEMBL16080228 0.77 FUCA1 (0.60) FUCA1ACHESIGMAR1MC4RMAPT
SCHEMBL12205371 0.77 ACHE (0.66) FUCA1ACHESIGMAR1MC4RS1PR1
SCHEMBL10041956 0.77 FUCA1 (0.60) FUCA1ACHESIGMAR1MC4RMAPT
SCHEMBL6104773 0.77 FUCA1 (0.60) FUCA1ACHESIGMAR1MC4RMAPT
SCHEMBL12384414 0.77 FUCA1 (0.55) FUCA1ACHESIGMAR1MC4RS1PR1

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
EP-3331864-A2 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-06-13 EP disclosed