SCHEMBL5700121

SCHEMBL5700121

NCC(N)C1CCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.59
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.43
DPP4 P27487 1/20 0.42
SHBG P04278 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
SCHEMBL8070691 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
Cyclohexane SCHEMBL2492289 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL671850 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL21656667 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL672135 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL670619 1.00 EPHX1 (0.59) EPHX1TP53KDM4EGMNNLMNA
Hydrochloric Acid SCHEMBL8201526 0.97 EPHX1 (0.56) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL4609721 0.97
SCHEMBL15531073 0.92
Hydrochloric Acid SCHEMBL30866173 0.89 KDM4E (0.46) EPHX1TP53KDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146037-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO (JP) 2006-06-21 EP disclosed
US-6410749-B1 REACTING A CARBONYL COMPOUND WITH ORGANOMETALLIC COMPOUND NIPPON SODA CO., LTD. (JP) 2002-06-25 US disclosed
EP-1146037-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS NIPPON SODA CO., LTD. (JP) 2001-10-17 EP disclosed
EP-0585116-B1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LTD (GB) 1996-02-28 EP disclosed
US-5389684-A Treats disorder of central nervous system LILLY INDUSTRIES LIMITED (GB) 1995-02-14 US disclosed
EP-0585116-A1 1-Alkoxy-naphthalene-2-carboxamide derivatives with high affinity for the serotonin 5-HT1A receptor LILLY INDUSTRIES LIMITED (GB) 1994-03-02 EP disclosed