SCHEMBL10554254

SCHEMBL10554254

COc1ccc2c(c1)C(N1CCN(CC=Cc3ccccc3)CC1)c1ccccc1CO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.50
ADRA2C P18825 3/20 0.50
ADRA2B P18089 2/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
MCHR1 Q99705 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45
DRD1 P21728 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL10554250 1.00 ADRA2A (0.50) ADRA2AADRA2CADRA2BTSHRGAA
SCHEMBL10554819 0.88 ADRA2A (0.41) ADRA2AADRA2CADRA2BTSHRGAA
SCHEMBL10554817 0.88 ADRA2A (0.41) ADRA2AADRA2CADRA2BTSHRGAA
SCHEMBL10552460 0.85 LMNA (0.46) ADRA2AADRA2CADRA2BTSHRGAA
SCHEMBL10552454 0.85 LMNA (0.46) ADRA2AADRA2CADRA2BTSHRGAA
SCHEMBL10556593 0.83 ALDH1A1 (0.43) ADRA2AADRA2CADRA2BTSHRGAA
SCHEMBL9528511 0.82 KMT2A (0.45) TSHRGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL9528517 0.82 KMT2A (0.45) TSHRGAASMN1; SMN2ALDH1A1MEN1
SCHEMBL11152236 0.81 DRD1 (0.56) GAAKDM4ESMN1; SMN2ALDH1A1DRD1
SCHEMBL10861913 0.81 GAA (0.53) ADRA2AADRA2CADRA2BTSHRGAA

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
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US claimed
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 claimed
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed