SCHEMBL7101199

SCHEMBL7101199

COc1ccccc1CCNC(=O)C(NC(=O)[C@@H](S)Cc1ccccc1)C(=O)NCCc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
HPGD P15428 1/20 0.47
MME P08473 2/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL7101203 1.00 MTNR1A (0.53) MTNR1AMTNR1BTAAR1ALDH1A1GAA
SCHEMBL7102600 0.92 MTNR1A (0.46) MTNR1AMTNR1BTAAR1ALDH1A1GAA
SCHEMBL7098908 0.85 MME (0.50) ALDH1A1MMEHTTKMT2A
SCHEMBL7098915 0.85 MME (0.50) ALDH1A1MMEHTTKMT2A
SCHEMBL7101450 0.85 ALDH1A1 (0.57) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL7101444 0.85 ALDH1A1 (0.57) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL7102694 0.83 MME (0.58) MMEKMT2A
SCHEMBL7102697 0.83 MME (0.58) MMEKMT2A
SCHEMBL7099460 0.83 KMT2A (0.60) TAAR1ALDH1A1GAANPC1RAB9A
SCHEMBL7099462 0.83 KMT2A (0.60) TAAR1ALDH1A1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP claimed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US claimed
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed