SCHEMBL9739281

SCHEMBL9739281

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(C)C(N)CN

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 12/20 0.38
PLA2G1B P04054 1/20 0.37
PLA2G2A P14555 1/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL11727370 0.77 DNM1 (0.42) DNM1PLA2G1BPLA2G2AMEN1KMT2A
SCHEMBL11820748 0.77 DNM1 (0.42) DNM1PLA2G1BPLA2G2AMEN1KMT2A
SCHEMBL6156030 0.77 DNM1 (0.42) DNM1PLA2G1BPLA2G2AMEN1KMT2A
SCHEMBL9547907 0.77 DNM1 (0.42) DNM1PLA2G1BPLA2G2AMEN1KMT2A
SCHEMBL29429116 0.77 DNM1 (0.42) DNM1PLA2G1BPLA2G2AMEN1KMT2A
SCHEMBL10603507 0.77 DNM1 (0.42) DNM1PLA2G1BPLA2G2AMEN1KMT2A
SCHEMBL1039266 0.76 DNM1 (0.46) DNM1PLA2G1BPLA2G2AOPRM1MEN1
SCHEMBL6366975 0.76 DNM1 (0.46) DNM1PLA2G1BPLA2G2AOPRM1MEN1
SCHEMBL11315678 0.73 OPRM1 (0.48) PLA2G1BPLA2G2AOPRM1SPHK1
SCHEMBL9873123 0.73 OPRM1 (0.46) DNM1PLA2G1BPLA2G2AOPRM1MEN1

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
US-5151522-A Condensation of imidazoline compounds with acrylic acid, methacrylic acid or maleic acid CHEMISCHES INSTITUT SCHAEFER AG (CH) 1992-09-29 US disclosed
US-5049315-A Polycarboxylic acid imidazolines, process for the preparation thereof and cleaning agents containing them CHEMISCHES INSTUTUT SCHAEFER AG (DE) 1991-09-17 US disclosed