SCHEMBL9529300

SCHEMBL9529300

Fc1ccc2c(c1)OCc1ccccc1C2N1CCN(C/C=C\c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
CYP2D6 P10635 3/20 0.45
OPRM1 P35372 3/20 0.45
MAPK1 P28482 3/20 0.45
HIF1A Q16665 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
THPO P40225 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
HTR1A P08908 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
SCHEMBL9061654 1.00 LMNA (0.45) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL9061660 1.00 LMNA (0.45) LMNAMEN1KMT2AMAPTCYP2D6
Fumaric Acid SCHEMBL30357983 0.94 LMNA (0.46) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL10556593 0.89 ALDH1A1 (0.43) MEN1KMT2ASLC6A4ADRA2AADRA2B
SCHEMBL9528517 0.89 KMT2A (0.45) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL9528511 0.89 KMT2A (0.45) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL10552460 0.82 LMNA (0.46) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL10552454 0.82 LMNA (0.46) LMNAMEN1KMT2AMAPTCYP2D6
SCHEMBL10554250 0.80 ADRA2A (0.50) LMNAMEN1KMT2AMAPK1SLC6A4
SCHEMBL10554254 0.80 ADRA2A (0.50) LMNAMEN1KMT2AMAPK1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0269755-B1 DIBENZ b,e]OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON PHARMACEUTICAL CO (JP) 1993-11-18 EP disclosed
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed