SCHEMBL8552517

SCHEMBL8552517

C=C1N(Cc2ccc(OC)cc2)c2ccccc2C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.54
CMA1 P23946 1/20 0.46
MMP12 P39900 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
OPRL1 P41146 1/20 0.44
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44
CASP3 P42574 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1372846 0.90 P2RX1 (0.49) SCN9AMAPT
Bromide SCHEMBL6522067 0.88 P2RX1 (0.47) SCN9AMAPT
SCHEMBL4434283 0.85 P2RX1 (0.45) SCN9AMMP12ADAMTS5OPRL1MAPT
SCHEMBL6524494 0.85 P2RX1 (0.45) SCN9AMMP12ADAMTS5OPRL1MAPT
SCHEMBL10723893 0.85 P2RX1 (0.55) SCN9ACMA1MAPT
SCHEMBL3211150 0.84 AMPD2 (0.46) SCN9A
Bromide SCHEMBL4444724 0.84 P2RX1 (0.44) SCN9AMMP12ADAMTS5OPRL1MAPT
SCHEMBL17377477 0.83 SCN9A (0.63) SCN9ACMA1MMP12ADAMTS5L3MBTL1
SCHEMBL12147169 0.83 P2RX1 (0.47) SCN9AMMP12ADAMTS5OPRL1
SCHEMBL1372776 0.83 SCN9A (0.44) SCN9ACASP3LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529100-B1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KK (JP) 1998-11-11 EP disclosed
EP-0530369-B1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KK (JP) 1997-02-05 EP disclosed
US-5403702-A Crystals consisting of an indolinospirobenzopyran derivative OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-04-04 US disclosed
US-5320784-A Crystal comprising an indolinospirobenzothiopyran derivative and its ring opened isomer OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-06-14 US disclosed
EP-0530369-A1 CRYSTAL COMPRISING INDOLINOSPIROBENZOTHIOPYRAN DERIVATIVE AND RING-OPENING ISOMER THEREOF OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
EP-0529100-A1 INDOLINOSPIROBENZOPYRAN DERIVATIVE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed