SCHEMBL8208770

SCHEMBL8208770

COc1ccc(CCCNC2CCCC(C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.47
GRIN1 Q05586 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM3 P20309 2/20 0.44
MCHR1 Q99705 1/20 0.43
CHRM2 P08172 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM1A O60341 1/20 0.41
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41

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
SCHEMBL8205279 0.94 GRIN2B (0.48) GRIN2BGRIN1CYP1A2CYP3A4CYP2D6
SCHEMBL8209750 0.91 TAAR1 (0.46) GRIN2BGRIN1KMT2AKDM4EMEN1
SCHEMBL8206272 0.91 TAAR1 (0.46) GRIN2BGRIN1KMT2AKDM4EMEN1
SCHEMBL8206280 0.91 TAAR1 (0.46) GRIN2BGRIN1KMT2AKDM4EMEN1
SCHEMBL8205244 0.89 TAAR1 (0.49) GRIN2BGRIN1KMT2AKDM4EMEN1
SCHEMBL8206586 0.88 EPHX1 (0.46) GRIN2BGRIN1KMT2AKDM4EMEN1
SCHEMBL8206923 0.85 TAAR1 (0.54) GRIN2BKMT2AKDM4EMEN1ALDH1A1
SCHEMBL8199243 0.85 GRIN2B (0.46) GRIN2BGRIN1
SCHEMBL8209728 0.84 HRH1 (0.42) GRIN2BGRIN1CYP1A2CYP3A4CYP2C9
SCHEMBL8205354 0.83 MEN1 (0.43) GRIN2BGRIN1KMT2AKDM4EMEN1

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
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed