SCHEMBL6219656

SCHEMBL6219656

COCC(N)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
SHBG P04278 1/20 0.39
DPP4 P27487 1/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL90261 1.00 EPHX1 (0.39) EPHX1SHBGDPP4TP53LMNA
SCHEMBL89990 1.00 EPHX1 (0.39) EPHX1SHBGDPP4TP53LMNA
SCHEMBL28907305 0.93
SCHEMBL28907306 0.93
SCHEMBL25376958 0.88
SCHEMBL3997892 0.88
SCHEMBL512291 0.88
Hydrochloric Acid SCHEMBL1559697 0.86
Hydrochloric Acid SCHEMBL638383 0.86
Hydrochloric Acid SCHEMBL1633435 0.86

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-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO disclosed