SCHEMBL4977443

SCHEMBL4977443

O=C(O)N1CCC(c2cc(F)cc(F)c2)CC1O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR2 O43614 3/20 0.33
DRD2 P14416 1/20 0.33
SCD5 Q86SK9 1/20 0.32
RIPK1 Q13546 1/20 0.32
CCR2 P41597 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
SLC18A3 Q16572 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL19995620 0.86 RIPK1 (0.33) NPY5RNPC1RAB9AATMSMN1; SMN2
SCHEMBL2462195 0.75 RIPK1 (0.33) NPY5RRIPK1
SCHEMBL28873369 0.70 APOL1 (0.32) NPY5RHCRTR2RIPK1
SCHEMBL21053051 0.70 HCRTR2 (0.33) NPY5RHCRTR2RIPK1
SCHEMBL23454767 0.69 CYP1A2 (0.38) RIPK1
SCHEMBL21136402 0.69 CYP1A2 (0.38) RIPK1
SCHEMBL21527811 0.69 CYP1A2 (0.38) RIPK1
SCHEMBL19995528 0.69 CYP1A2 (0.38) RIPK1
SCHEMBL20002178 0.69 CYP1A2 (0.38) RIPK1
SCHEMBL19995586 0.69 HCAR2 (0.43) HCRTR2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963268-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Neurosearch Sweden AB (SE) 2008-09-03 EP disclosed
WO-2007065655-A1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NEUROSEARCH SWEDEN AB (SE) 2007-06-14 WO disclosed