SCHEMBL7962748

SCHEMBL7962748

OC(CCN1CCC(O)(c2cnc3ccccc3n2)CC1)Oc1ccc2cccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CYP3A4 P08684 1/20 0.36
LTA4H P09960 2/20 0.34
CACNA2D1 P54289 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRL1 P41146 1/20 0.33
CCR1 P32246 1/20 0.33
ABL1 P00519 1/20 0.33
SRC P12931 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HTR1A P08908 2/20 0.33
SYK P43405 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL7953290 0.88 LTA4H (0.38) PDE10ADRD2DRD3CYP3A4LTA4H
SCHEMBL7962701 0.84 LTA4H (0.36) DRD2DRD3LTA4HMEN1KMT2A
SCHEMBL7962212 0.84 ALDH1A1 (0.41) DRD2DRD3MEN1MAPTKMT2A
SCHEMBL7962746 0.83 SMN1; SMN2 (0.47) PDE10AMAPTHTR1A
SCHEMBL7962985 0.82 LTA4H (0.39) LTA4HMEN1MAPTKMT2AOPRL1
SCHEMBL7962741 0.81 PDE10A (0.42) PDE10ADRD2DRD3CYP3A4MAPT
SCHEMBL7200725 0.79 OPRL1 (0.41) LTA4HMEN1KMT2AOPRL1CCR1
Sulfuric Acid SCHEMBL7968961 0.79 DRD3 (0.37) DRD2DRD3LTA4HHTR1A
SCHEMBL7965119 0.78 OPRM1 (0.39) DRD2DRD3MEN1MAPTKMT2A
SCHEMBL7969555 0.74 OPRL1 (0.45) LTA4HMEN1KMT2AOPRL1CCR1

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed