SCHEMBL10117812

SCHEMBL10117812

O=C(OCc1ccccc1)N1CCC[C@H]1c1nc2ccc(Br)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.46
PREP P48147 3/20 0.44
TMEM97 Q5BJF2 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
TGM2 P21980 1/20 0.43
SCD5 Q86SK9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3224486 0.93 AADAT (0.46) AADATPREPTMEM97SIGMAR1TGM2
SCHEMBL3224476 0.93 AADAT (0.46) AADATPREPTMEM97SIGMAR1TGM2
SCHEMBL3264198 0.84 SMN1; SMN2 (0.46) AADATPREPTMEM97SIGMAR1
SCHEMBL3264197 0.84 SMN1; SMN2 (0.46) AADATPREPTMEM97SIGMAR1
SCHEMBL10117332 0.83 AADAT (0.43) AADATPREPTMEM97SIGMAR1NPSR1
SCHEMBL3214970 0.82 ENPP2 (0.47) AADATPREPTMEM97SIGMAR1SCD5
SCHEMBL3200657 0.82 ENPP2 (0.47) AADATPREPTMEM97SIGMAR1SCD5
SCHEMBL3215248 0.81 ENPP2 (0.43) AADATSCD5
SCHEMBL3215257 0.81 ENPP2 (0.43) AADATSCD5
SCHEMBL38656320 0.81 KMT2A (0.54) ALDH1A1TSHRNPSR1

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
WO-2012087976-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-06-28 WO disclosed