SCHEMBL7597772

SCHEMBL7597772

CNCC(C)CCCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
DNM1 Q05193 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30

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
SCHEMBL23969445 0.86 PRMT3 (0.42) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL557874 0.76 PRMT3 (0.37) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL28156458 0.76 PRMT3 (0.37) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL20873462 0.75 HPGD (0.37) HTR2AHRH1DNM1USP2
SCHEMBL24693927 0.75 PIK3CD (0.30)
SCHEMBL10290497 0.73 LMNA (0.57)
SCHEMBL21765434 0.73 LMNA (0.57)
SCHEMBL10290383 0.73 LMNA (0.57)
SCHEMBL5949186 0.73 ALDH1A1 (0.43) ALDH1A1TSHRHTR2AHRH1DNM1
SCHEMBL13443141 0.73

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 3 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
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
EP-0962447-A2 Process for the preparation of secondary or tertiary 2-methyl-1,5-pentanediamines BASF AKTIENGESELLSCHAFT (DE) 1999-12-08 EP disclosed