SCHEMBL21658764

SCHEMBL21658764

O=c1c(CBr)cccn1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
IDH1 O75874 1/20 0.38
DHODH Q02127 3/20 0.37
LMNA P02545 1/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
P2RX7 Q99572 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
PDE4A P27815 1/20 0.31
IL4I1 Q96RQ9 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
SLC5A2 P31639 1/20 0.30

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
SCHEMBL24915359 0.82 LMNA (0.38) KDM5AIDH1DHODHLMNADRD2
SCHEMBL23120463 0.76 SMN1; SMN2 (0.56) LMNA
SCHEMBL30912557 0.76 DHODH (0.40) IDH1DHODHLMNADRD2DRD4
SCHEMBL21658766 0.74 KAT2B (0.42) KDM5AIDH1DHODHLMNADRD2
SCHEMBL21659038 0.72 TYK2 (0.36) KDM5ADHODHSLC5A2
SCHEMBL16794667 0.72 DHODH (0.40) IDH1DHODHLMNADRD2DRD4
SCHEMBL16651267 0.72 KDM5A (0.44) KDM5AIDH1DHODHLMNAPDE4A
SCHEMBL1857401 0.72 LMNA (0.43) IDH1DHODHLMNADRD2DRD4
SCHEMBL25286678 0.71 DPP4 (0.40) IDH1LMNAGLAPOLB
Hydrochloric Acid SCHEMBL25434975 0.70 DHODH (0.39) IDH1DHODHLMNADRD2DRD4

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-2020023846-A1 PYRIDONE A2R ANTAGONISTS ARCUS BIOSCIENCES, INC. (US) 2020-01-30 WO disclosed