SCHEMBL5012783

SCHEMBL5012783

CCOC(=O)C1(C(O)c2ccc(-c3nnn(C)n3)cc2)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.35
ADRB2 P07550 1/20 0.34

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
SCHEMBL646390 0.70 KMT2A (0.45) MAPTALDH1A1GAANPSR1USP2
SCHEMBL5682210 0.67 KCNA3 (0.49) OPRM1ALDH1A1GAASMN1; SMN2
SCHEMBL11117905 0.65 OPRM1 (0.58) OPRM1SMN1; SMN2
SCHEMBL8561734 0.65 OPRM1 (0.49) OPRM1MAPTALDH1A1CYP1A2ALOX15
SCHEMBL5678119 0.65 SMN1; SMN2 (0.50) OPRM1ALDH1A1GAACYP2C9SMN1; SMN2
SCHEMBL20372758 0.64 LMNA (0.47) MAPTTP53ALDH1A1GAAMAPK1
SCHEMBL21867155 0.64 OPRM1 (0.48) OPRM1MAPTALDH1A1ALOX15SMN1; SMN2
SCHEMBL11118382 0.63 OPRM1 (0.55) OPRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL20565645 0.63 OPRM1 (0.47) OPRM1MAPTALOX15POLB
SCHEMBL5321983 0.62 SMN1; SMN2 (0.51) MAPTTP53ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO disclosed