SCHEMBL6910329

SCHEMBL6910329

CCCCCCCCCCCCCCCCCCN(CCCN)CC(C)N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 1/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
OPRM1 P35372 1/20 0.40
SPHK1 Q9NYA1 1/20 0.38
CHRM2 P08172 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
SCHEMBL6910746 1.00 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11820756 0.92 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL4889045 0.92 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL11727377 0.92 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL9547912 0.92 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL11727919 0.92 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL4312699 0.88 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL7151720 0.88 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL14039325 0.88 PLA2G1B (0.50) DNM1TSHRPLA2G1BPLA2G2AOPRM1
SCHEMBL10384040 0.88 ALDH1A1 (0.36) ALDH1A1PLA2G1BPLA2G2ACHRM2

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-1077922-B1 POLYAMINE KAO CORP (JP) 2004-02-18 EP disclosed
US-6667382-B1 Straight chain aliphatic amine salt with primary, secondary and tertiary functionality; workability; emulsifying quick setting asphalt KAO CORPORATION (JP) 2003-12-23 US disclosed