SCHEMBL8696969

SCHEMBL8696969

O=C(OCc1ccccc1)N1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CHRM4 P08173 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NOS2 P35228 1/20 0.52
CCR1 P32246 2/20 0.51
CYP2C19 P33261 1/20 0.50
OPRD1 P41143 2/20 0.49
OPRK1 P41145 2/20 0.49
KDM1A O60341 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
DRD2 P14416 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL29087277 0.93 RORC (0.61) RORCMEN1KMT2ANPSR1CHRM4
SCHEMBL7556949 0.91 CHRM4 (0.61) MEN1KMT2ANPSR1CHRM4SMN1; SMN2
SCHEMBL19458995 0.88 ACE2 (0.56) RORCMEN1KMT2ANPSR1CHRM4
SCHEMBL15379133 0.88 NOS2 (0.54) RORCMEN1KMT2ANPSR1CHRM4
SCHEMBL16936275 0.88 CCR1 (0.64) MEN1KMT2ANPSR1CHRM4SMN1; SMN2
SCHEMBL18110614 0.87 RORC (0.54) RORCMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL29087308 0.87 MEN1 (0.53) RORCMEN1KMT2ANPSR1CHRM4
SCHEMBL8693356 0.87 RORC (0.54) RORCMEN1KMT2ANPSR1CHRM4
SCHEMBL7304539 0.87 SMN1; SMN2 (0.50) RORCMEN1KMT2ANPSR1CHRM4
SCHEMBL751049 0.86 OPRD1 (0.53) MEN1KMT2ANPSR1CHRM4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852040-A Neuroprotective 3,4-dihydro-2(1H)-quinolone compounds PFIZER INC. (US) 1998-12-22 US disclosed
EP-0666854-B1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS PFIZER (US) 1997-03-26 EP disclosed
EP-0666854-A1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS. PFIZER (US) 1995-08-16 EP disclosed
WO-1994010166-A1 NEUROPROTECTIVE 3,4-DIHYDRO-2(1H)-QUINOLONE COMPOUNDS PFIZER INC. (US) 1994-05-11 WO disclosed