SCHEMBL11366451

SCHEMBL11366451

O=C(CC1NCCc2c1[nH]c1ccccc21)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.65
MAPKAPK2 P49137 1/20 0.56
HTR7 P34969 7/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2A P28223 3/20 0.52
HTR2C P28335 1/20 0.52
CHRM4 P08173 4/20 0.51
DRD2 P14416 3/20 0.51
PRMT5 O14744 2/20 0.51
EGFR P00533 2/20 0.51
CTSK P43235 1/20 0.48

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
SCHEMBL3246180 0.84 GRIN2B (0.67) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6
Fenharmane SCHEMBL9695673 0.79 GRIN2B (1.00) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6
SCHEMBL9700846 0.79 KDM4E (0.48) GRIN2BMAPKAPK2HTR7CYP3A4
Hydrochloric Acid SCHEMBL9701609 0.78 KDM4E (0.48) GRIN2BMAPKAPK2HTR7CYP3A4
Fenharmane SCHEMBL9696484 0.78 GRIN2B (0.97) GRIN2BHTR7CYP3A4CYP2D6CYP2C19
SCHEMBL18087743 0.77 GRIN2B (0.76) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6
SCHEMBL5532807 0.76 GRIN2B (0.70) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6
SCHEMBL8321835 0.76 KMT2A (0.70) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11249624 0.75 KMT2A (0.72) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6
SCHEMBL29264061 0.74 MAPKAPK2 (0.72) GRIN2BMAPKAPK2HTR7CYP3A4CYP2D6

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-4277476-A ANTI-ANOXIA AND PSYCHOTROPIC AGENTS SYNTHELABO (FR) 1981-07-07 US disclosed