SCHEMBL7356396

SCHEMBL7356396

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MMP1 P03956 1/20 0.48
CYP2D6 P10635 2/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
FPR2 P25090 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
USP30 Q70CQ3 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 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
SCHEMBL7354780 0.88 LMNA (0.49) KMT2ALMNAFPR2ALDH1A1
SCHEMBL7359406 0.87 MMP1 (0.49) MMP1KLKB1
SCHEMBL7355755 0.85 L3MBTL1 (0.42) CAPN1FPR2
SCHEMBL7360491 0.85 TACR1 (0.48) MAPT
SCHEMBL7353746 0.85 MMP9 (0.55) MEN1KMT2AMAPTALDH1A1
SCHEMBL7361887 0.85 MMP9 (0.55) MEN1KMT2AMAPTALDH1A1
SCHEMBL7361188 0.85 BACE1 (0.45) CAPN1
SCHEMBL7363926 0.85 L3MBTL1 (0.47) KMT2A
SCHEMBL7356227 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1USP30
SCHEMBL7354485 0.84 CTSS (0.43) CAPN1

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-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 WO disclosed