SCHEMBL7359741

SCHEMBL7359741

CCOC(=O)[C@H]1N[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
CAPN1 P07384 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
REN P00797 1/20 0.41
NPY1R P25929 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
GPR142 Q7Z601 1/20 0.40

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
SCHEMBL7363926 0.89 L3MBTL1 (0.47) KMT2AL3MBTL1SMN1; SMN2MMP8
SCHEMBL8312360 0.87 KMT2A (0.69) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL8312367 0.85 KMT2A (0.67) KMT2ACAPN1ALDH1A1TSHRHTT
SCHEMBL7362797 0.85 SRC (0.47) KMT2ATSHRL3MBTL1SMN1; SMN2CYP2D6
SCHEMBL7355235 0.84 ALDH1A1 (0.42) KMT2ACAPN1ALDH1A1MEN1MAPT
SCHEMBL7364449 0.84 CHRNB2 (0.47) KMT2ATSHRL3MBTL1SMN1; SMN2CYP2D6
SCHEMBL7361056 0.84 BRS3 (0.47) KMT2AL3MBTL1MMP8
SCHEMBL7359283 0.83 CAPN9 (0.49) CAPN1L3MBTL1
SCHEMBL7358003 0.83 KMT2A (0.55) KMT2ACAPN1ATMMEN1MAPT
SCHEMBL7359406 0.83 MMP1 (0.49) ATML3MBTL1MMP8

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