SCHEMBL7603544

SCHEMBL7603544

CC(CCC#N)CN1CCCC(C)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
HRH3 Q9Y5N1 3/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.36
CASP2 P42575 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL9123637 0.79 MAPT (0.52) KDM4EHRH3HRH2HRH1MAPT
SCHEMBL13316306 0.78 POLB (0.53) KDM4EHRH3HRH2HRH1HSD17B10
SCHEMBL27280854 0.78 KDM4E (0.56) KDM4EHRH3HSD17B10MEN1KMT2A
SCHEMBL21227464 0.78 POLB (0.53) KDM4EHRH3HRH2HRH1HSD17B10
SCHEMBL14654955 0.78 POLB (0.53) KDM4EHRH3HRH2HRH1HSD17B10
SCHEMBL7603518 0.78 KDM4E (0.51) KDM4EHRH3HRH2HRH1
SCHEMBL12424438 0.77 POLB (0.52) KDM4EHRH3HRH2HRH1HSD17B10
SCHEMBL7602980 0.76 KDM4E (0.58) KDM4EHRH3HSD17B10MEN1KMT2A
Ammonia Solution, Strong SCHEMBL7603171 0.76 KDM4E (0.50) KDM4EHRH3HRH2HRH1
SCHEMBL12449688 0.76 KDM4E (0.61) KDM4EHSD17B10MEN1KMT2ACYP2D6

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-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-0759914-B1 TERTIARY DIAMINE, ITS USE AS CATALYST AND METHOD FOR PREPARATION OF TERTIARY DIAMINES LONZA AG (CH) 1998-09-23 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
US-5698607-A Tertiary diamine, its use as catalyst, and process for preparing tertiary diamines LONZA AG (CH) 1997-12-16 US disclosed
EP-0759914-A1 TERTIARY DIAMINE, ITS USE AS CATALYST AND METHOD FOR PREPARATION OF TERTIARY DIAMINES LONZA AG (CH) 1997-03-05 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
WO-1995030666-A1 TERTIARY DIAMINE, ITS USE AS CATALYST AND METHOD FOR PREPARATION OF TERTIARY DIAMINES LONZA AG (CH) 1995-11-16 WO disclosed