SCHEMBL7364983

SCHEMBL7364983

CC(C)(C)OC(=O)N1C=CC=NC1I

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15300153 0.81 FAAH (0.32) CHRM2CHRM1CHRM3GPR119USP2
Methylamine SCHEMBL445561 0.78 FAAH (0.31) CHRM2CHRM1CHRM3GPR119
SCHEMBL22324901 0.70 CHRM2 (0.33) CHRM2CHRM1CHRM3GPR119
SCHEMBL28107442 0.69 USP2 (0.37) CHRM2CHRM1CHRM3GPR119USP2
SCHEMBL28428311 0.69 CHRM2 (0.39) CHRM2CHRM1CHRM3GPR119USP2
SCHEMBL30121408 0.68 CHRM2 (0.34) CHRM2CHRM1CHRM3GPR119USP2
SCHEMBL19892750 0.68 CHRM2 (0.34) CHRM2CHRM1CHRM3GPR119USP2
SCHEMBL28842147 0.67 NR1H2 (0.34) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL27510719 0.65 CTSK (0.33) CHRM2CHRM1CHRM3GPR119USP2
SCHEMBL27721708 0.65 PDE4B (0.36) CHRM2CHRM1CHRM3

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-6037367-A Substituted-pent-4-ynoic acids SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US disclosed
EP-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP disclosed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP disclosed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 WO disclosed