SCHEMBL5034657

SCHEMBL5034657

Cc1cccc(CNCCNCCNCCNCCNCc2cccc(C)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CHRM2 P08172 4/20 0.52
TAAR1 Q96RJ0 1/20 0.48
CYP2D6 P10635 3/20 0.47
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 2/20 0.47
HTR6 P50406 2/20 0.46
DNM1 Q05193 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL4917404 1.00 MEN1 (0.52) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL4916688 1.00 MEN1 (0.52) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL4911510 0.98 MEN1 (0.54) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL4918654 0.91 TAAR1 (0.55) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL4919186 0.91 TAAR1 (0.55) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL4908617 0.91 TAAR1 (0.55) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL7813797 0.90 MEN1 (0.47) MEN1KMT2ATDP1CHRM2TAAR1
SCHEMBL9737112 0.89 TAAR1 (0.54) TAAR1CYP2D6ALDH1A1IDO1DNM1
SCHEMBL31177924 0.88 TAAR1 (0.55) MEN1KMT2ACHRM2TAAR1CYP2D6
SCHEMBL10077141 0.88 CYP2D6 (0.50) MEN1KMT2ATDP1CHRM2TAAR1

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-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed