SCHEMBL14199545

SCHEMBL14199545

C(=C\c1ccc(N(c2ccccc2)C2CCC(c3ccc(N(c4ccccc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)CC2)cc1)\c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
KDM4E B2RXH2 2/20 0.37
APP P05067 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL14159365 0.86 MAOA (0.39) KDM4ETRPM8MAOAMAOB
SCHEMBL12292325 0.82 TRPM8 (0.41) RELASRD5A1SRD5A2KDM4EAPP
SCHEMBL14541113 0.81 RELA (0.38) RELAAPPALDH1A1MAPTMEN1
SCHEMBL14199995 0.81 RELA (0.38) RELAAPPALDH1A1MAPTMEN1
SCHEMBL22910926 0.81 HTR2A (0.34) SRD5A1SRD5A2KDM4EOPRM1OPRD1
SCHEMBL14159377 0.80 TRPM8 (0.47) RELAKDM4EAPPALDH1A1MAPT
SCHEMBL14201210 0.80 TRPM8 (0.47) RELAKDM4EAPPALDH1A1MAPT
SCHEMBL14539950 0.80 TRPM8 (0.47) RELAKDM4EAPPALDH1A1MAPT
SCHEMBL14541431 0.79 TRPM8 (0.54) RELAKDM4EALDH1A1MEN1MAPK1
SCHEMBL12128481 0.78 TRPM8 (0.39) RELASRD5A1SRD5A2KDM4EAPP

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-1926159-A1 ASYMMETRIC FLUORENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 2008-05-28 EP disclosed