SCHEMBL8323918

SCHEMBL8323918

c1ccc2c3c([nH]c2c1)C1(CCCCC1)NCC3

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.97
OPRM1 P35372 7/20 0.64
OGFRL1 Q5TC84 5/20 0.64
OPRL1 P41146 3/20 0.64
KMT2A Q03164 4/20 0.57
CFTR P13569 5/20 0.54
MEN1 O00255 3/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CRHBP P24387 1/20 0.48
MAPK1 P28482 1/20 0.48
CRHR2 Q13324 1/20 0.48
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HTR5A P47898 1/20 0.43
NISCH Q9Y2I1 1/20 0.43
NR2E1 Q9Y466 1/20 0.43

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
SCHEMBL998281 0.98 LMNA (0.94) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL6749604 0.88 LMNA (0.76) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL27016538 0.83 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10051501 0.83 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10051500 0.83 LMNA (0.69) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL6274438 0.82 LMNA (0.68) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL14500101 0.81 LMNA (0.66) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL3570145 0.80 LMNA (0.65) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL3564418 0.79 OPRM1 (0.77) LMNAOPRM1OGFRL1OPRL1KMT2A
SCHEMBL10038853 0.79 OPRM1 (1.00) LMNAOPRM1OGFRL1OPRL1

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
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 WO disclosed