SCHEMBL7353162

SCHEMBL7353162

NC(=O)CN1CCC(CC(=O)NCc2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.50
▸ VNN1 O95497 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ NAMPT P43490 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7354647 0.80 HPGD (0.61) RECQLTSHRGAAKMT2AKDM4E
SCHEMBL13621183 0.78 HTT (0.73) MAPTTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5773892 0.75 MAPT (0.56) RECQLMAPTTSHRCYP3A4CYP2C9
SCHEMBL5773896 0.73 VNN1 (0.58) VNN1MAPTCXCR4KMT2AALDH1A1
SCHEMBL5777274 0.73 NAMPT (0.61) VNN1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL2868175 0.73 SIGMAR1 (0.58) CXCR4CYP3A4CYP2C9CYP1A2KMT2A
SCHEMBL10041824 0.70 CHRNB2 (0.62) ALDH1A1KDM4E
SCHEMBL18657232 0.70 GAA (0.58) GAAKDM4E
SCHEMBL1274303 0.69 RECQL (0.71) RECQLMAPTCYP3A4CYP2C9CYP2C19
SCHEMBL5771372 0.69 ACHE (0.58) KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 — — EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 — — WO disclosed
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