SCHEMBL7328655

SCHEMBL7328655

CCOC(=O)CC1(c2ccccn2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ SLC6A9 P48067 3/20 0.37
▸ NOS2 P35228 1/20 0.36

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
SCHEMBL32670415 0.88 LMNA (0.47) LMNAGAAKDM4EHSD17B10CASP1
SCHEMBL6988115 0.81 LMNA (0.42) LMNAGAAKDM4EHSD17B10CASP1
SCHEMBL8368989 0.80 OPRM1 (0.62) OPRM1GAA
SCHEMBL7421566 0.80 OPRM1 (0.65) OPRM1LMNAKDM4EHSD17B10CASP1
SCHEMBL20978162 0.78 ALDH1A1 (0.43) OPRM1HSD17B10ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL25263821 0.77 ALDH1A1 (0.42) OPRM1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL26638645 0.76 OPRM1 (0.56) OPRM1GAA
SCHEMBL16915621 0.75 SLC6A9 (0.47) SLC6A9
SCHEMBL6803691 0.75 LMNA (0.44) OPRM1LMNAGAAKDM4EHSD17B10
SCHEMBL16926658 0.74 SLC6A9 (0.42) SLC6A9

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-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 — — EP disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — WO disclosed
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