SCHEMBL9704737

SCHEMBL9704737

CCCCCCN1CC[N]C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.45
MGLL Q99685 4/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
ALOX5 P09917 2/20 0.40
FAAH O00519 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PLA2G2A P14555 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL9632622 0.98 GBA1 (0.42) GBA1MGLLPTGS1PTGS2ALOX5
SCHEMBL9705943 0.92 MEN1 (0.39) GBA1ALOX5ALDH1A1GAAMAPT
SCHEMBL5981877 0.89 GBA1 (0.43) GBA1MGLLPTGS1PTGS2ALOX5
SCHEMBL5983248 0.87 GBA1 (0.41) GBA1MGLLPTGS1PTGS2ALOX5
SCHEMBL993043 0.84
SCHEMBL5983122 0.81 MEN1 (0.37) GBA1ALOX5ALDH1A1GAAMAPT
SCHEMBL5621142 0.76
SCHEMBL5535499 0.75 GBA1 (0.43) GBA1MGLLPTGS1PTGS2ALOX5
SCHEMBL9769271 0.74 GBA1 (0.47) GBA1MGLLPTGS1PTGS2ALOX5
SCHEMBL9617015 0.74 GBA1 (0.47) GBA1MGLLPTGS1PTGS2ALOX5

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-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed