SCHEMBL7602980

SCHEMBL7602980

CC(CCCN)CN1CCCC(C)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 5/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
CASP2 P42575 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7603518 0.85 KDM4E (0.51) KDM4EHRH3
Ammonia Solution, Strong SCHEMBL7603171 0.84 KDM4E (0.50) KDM4EHRH3
SCHEMBL3983783 0.78 KDM4E (0.53) KDM4EHRH3
SCHEMBL7782006 0.77 KDM4E (0.54) KDM4EHRH3
SCHEMBL12449688 0.77 KDM4E (0.61) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL12000484 0.77 KDM4E (0.61) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL12384 0.77 KDM4E (0.61) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7603544 0.76 KDM4E (0.49) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL19982004 0.75 KDM4E (0.58) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL7813046 0.75 KDM4E (0.50) KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1092713-A2 Piperidinopentanamines and their use as catalysts in the preparation of urethanes LONZA AG (CH) 2001-04-18 EP claimed
US-6080865-A A POLYMERIZATION CATALYSTS IN THE PRODUCTION OF POLYURETHANES; A REACTION PRODUCT OF THE 2-METHYLGLUTARONITRILE WITH HYDROGEN LONZA AG (CH) 2000-06-27 US claimed
EP-0822933-A1 PIPERIDINOPENTANAMINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS A CATALYST FOR PRODUCING URETHANES LONZA AG (CH) 1998-02-11 EP claimed
WO-1996033986-A1 PIPERIDINOPENTANAMINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS A CATALYST FOR PRODUCING URETHANES LONZA AG (CH) 1996-10-31 WO claimed
EP-0962447-B1 Process for the preparation of secondary or tertiary 2-methyl-1,5-pentanediamines BASF AG (DE) 2002-12-18 EP disclosed
EP-0822933-B1 PROCESS FOR PRODUCING PIPERIDINOPENTANAMINES LONZA AG (CH) 2001-10-24 EP disclosed
EP-1092713-A2 Piperidinopentanamines and their use as catalysts in the preparation of urethanes LONZA AG (CH) 2001-04-18 EP disclosed
US-6198002-B1 REACTING 2-METHYLGLUTARONITRILE WITH PRIMARY OR SECONDARY AMINE AND HYDROGEN IN PRESENCE OF OXIDIC SUPPORTED CATALYST COMPRISING ONE OR MORE NOBLE METALS WHICH HAS BEEN TREATED WITH HYDROGEN BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-6080865-A A POLYMERIZATION CATALYSTS IN THE PRODUCTION OF POLYURETHANES; A REACTION PRODUCT OF THE 2-METHYLGLUTARONITRILE WITH HYDROGEN LONZA AG (CH) 2000-06-27 US disclosed
EP-0962447-A2 Process for the preparation of secondary or tertiary 2-methyl-1,5-pentanediamines BASF AKTIENGESELLSCHAFT (DE) 1999-12-08 EP disclosed
EP-0822933-A1 PIPERIDINOPENTANAMINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS A CATALYST FOR PRODUCING URETHANES LONZA AG (CH) 1998-02-11 EP disclosed
WO-1996033986-A1 PIPERIDINOPENTANAMINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS A CATALYST FOR PRODUCING URETHANES LONZA AG (CH) 1996-10-31 WO disclosed