SCHEMBL11249463

SCHEMBL11249463

CCCCCCCCCCCCCCCCNc1ccc(OC(=O)O)cn1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.63
MGLL Q99685 2/20 0.43
DEGS1 O15121 1/20 0.42
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G4B P0C869 1/20 0.40

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
SCHEMBL11246840 0.79 HCAR3 (0.97) HCAR3TP53TSHR
Hydrochloric Acid SCHEMBL11180843 0.78 HCAR3 (0.94) HCAR3TP53TSHR
SCHEMBL11184789 0.77 HCAR3 (0.72) HCAR3MGLLDEGS1CNR2
SCHEMBL11253069 0.74 HCAR3 (0.60) HCAR3DEGS1CNR2TSHRRAB9A
SCHEMBL27418247 0.74 HCAR3 (0.55) HCAR3RAB9AMAPTKMT2A
SCHEMBL1680894 0.73 HCAR3 (0.76) HCAR3CNR2
SCHEMBL22265370 0.73 HCAR3 (0.59) HCAR3CNR2RAB9AMAPT
SCHEMBL22047713 0.73 HCAR3 (1.00) HCAR3CNR2
SCHEMBL11257156 0.73 HCAR3 (0.58) HCAR3DEGS1CNR2RAB9AMAPT
SCHEMBL9646713 0.72 PTK2 (0.56) DEGS1TSHRRAB9AMAPTKMT2A

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
EP-0013153-B1 6-AMINO PYRIDINE CARBOXYLIC ACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-12-22 EP claimed