SCHEMBL8949273

SCHEMBL8949273

CC(NC(=O)CCCl)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
GPR139 Q6DWJ6 7/20 0.52
PRCP P42785 1/20 0.52
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7900323 0.90 ACACA (0.56) SMN1; SMN2ALDH1A1LMNAHTTGPR139
SCHEMBL7897298 0.86 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1LMNAHTTGPR139
SCHEMBL6400133 0.85 MAPT (0.69) ALDH1A1GPR139GAAHPGDMAPT
SCHEMBL31373866 0.85 MAPT (0.69) ALDH1A1GPR139GAAHPGDMAPT
SCHEMBL6398811 0.85 MAPT (0.69) ALDH1A1GPR139GAAHPGDMAPT
SCHEMBL7677571 0.84 MEN1 (0.59) SMN1; SMN2ALDH1A1LMNAGPR139PRCP
SCHEMBL7681216 0.84 MEN1 (0.59) SMN1; SMN2ALDH1A1LMNAGPR139PRCP
SCHEMBL8445815 0.83 GPR139 (0.55) SMN1; SMN2ALDH1A1LMNAHTTGPR139
SCHEMBL23122289 0.81 GPR139 (0.54) SMN1; SMN2ALDH1A1LMNAHTTGPR139
SCHEMBL7932227 0.81 GPR139 (0.54) SMN1; SMN2ALDH1A1LMNAHTTGPR139

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037511-C Therapeutic agents BOOTS CO PLC (GB) 1998-02-25 CN disclosed
US-5547972-A 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1996-08-20 US disclosed
CN-1096781-A The therapeutical agent that contains 1-(aralkyl-aminoalkyl) imidazolium compounds BOOTS CO PLC (GB) 1994-12-28 CN disclosed
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013075-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed