SCHEMBL7677571

SCHEMBL7677571

CCCCC(=O)NC(C)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GPR139 Q6DWJ6 3/20 0.50
CNR2 P34972 1/20 0.50
PRCP P42785 1/20 0.50
LMNA P02545 1/20 0.49
ACACB O00763 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
ACACA Q13085 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
SCHEMBL7681216 1.00 MEN1 (0.59) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL7900323 0.90 ACACA (0.56) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL27820665 0.84 HTT (0.63) HPGDALDH1A1CNR2LMNAACACB
SCHEMBL8949273 0.84 SMN1; SMN2 (0.53) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL27293522 0.84 KMT2A (0.47) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL8445815 0.83 GPR139 (0.55) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL7897298 0.80 SMN1; SMN2 (0.69) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL16714801 0.80 ALDH1A1 (0.58) MEN1KMT2AHPGDALDH1A1CNR2
SCHEMBL23122290 0.79 GPR139 (0.54) MEN1KMT2AHPGDALDH1A1GPR139
SCHEMBL7932227 0.79 GPR139 (0.54) MEN1KMT2AHPGDALDH1A1GPR139

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
US-6500986-B1 RACEMIZATION OF OPTICALLY ACTIVE AMIDES; CONVERSION TO AMINES BAYER AKTIENGESELLSCHAFT (DE) 2002-12-31 US claimed
EP-0757981-B1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 2000-02-16 EP claimed
US-6500986-B1 RACEMIZATION OF OPTICALLY ACTIVE AMIDES; CONVERSION TO AMINES BAYER AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-0757981-B1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 2000-02-16 EP disclosed
EP-0757981-A1 Process for the preparation of racemic amino derivatives BAYER AG (DE) 1997-02-12 EP disclosed