SCHEMBL11054753

SCHEMBL11054753

CCCCC(C)CCNC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.39
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
EPHX2 P34913 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
METAP1 P53582 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CXCR4 P61073 2/20 0.37
CXCL12 P48061 1/20 0.37

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
SCHEMBL11057051 0.89 CYP1A2 (0.40) EPHX1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL11058163 0.84 KDM4E (0.47) EPHX1EPHX2CYP1A2CYP2D6METAP1
SCHEMBL11052652 0.83 KDM4E (0.41) EPHX1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL19193264 0.79 GNAI3 (0.36) GNAI3GNAO1GNAI1CYP1A2CYP2D6
SCHEMBL11057898 0.79 CXCR4 (0.40) EPHX1GNAI3GNAO1GNAI1KDM4E
SCHEMBL11723467 0.79 LMNA (0.45) CYP1A2CYP2C19KDM4ECXCR4CXCL12
SCHEMBL11053758 0.79 KDM4E (0.46) EPHX1EPHX2CYP1A2CYP2D6SIGMAR1
SCHEMBL3687839 0.78 GNAI3 (0.52) EPHX1GNAI3GNAO1GNAI1EPHX2
SCHEMBL271797 0.78 GNAI3 (0.52) EPHX1GNAI3GNAO1GNAI1EPHX2
SCHEMBL7775131 0.78 GNAI3 (0.52) EPHX1GNAI3GNAO1GNAI1EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4459424-A SECONDARY AMINE, CARBON DISULFIDE, METAL CONTAINING CATALYST AKZONA INCORPORATED (US) 1984-07-10 US disclosed