SCHEMBL9540412

SCHEMBL9540412

CC(NI)N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL9317068 0.82 SIGMAR1 (0.37) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL930621 0.80 MEN1 (0.34) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL28628160 0.78 CHRM5 (0.37) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL28204363 0.76 GNAI3 (0.33) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL28918485 0.75 CHRM5 (0.35) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL3389599 0.75 CHRM5 (0.35) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL7663825 0.74
SCHEMBL1303957 0.73 CHRM5 (0.34) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL1303959 0.73 ADH1B (0.37) MEN1KMT2ACHRM5CHRM3SIGMAR1
SCHEMBL5387 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993002113-A1 AMINO CONTAINING GRAFT POLYMERS EXXON CHEMICAL PATENTS INC. (US) 1993-02-04 WO disclosed
US-5126429-A FLEXIBLE POLYAMIDE FROM DIMER ACID AND BIS-SECONDARY DIAMINE BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed