SCHEMBL20961003

SCHEMBL20961003

N[C@@H]1COCC[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.47
▸ CHRM2 P08172 2/20 0.45
▸ CHRM4 P08173 2/20 0.45
▸ CHRM1 P11229 2/20 0.45
▸ CHRM3 P20309 2/20 0.45
▸ CHRNA7 P36544 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC18A3 Q16572 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 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
SCHEMBL3504585 0.90 BCHE (0.46) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL3504583 0.90 BCHE (0.46) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22892187 0.84 BCHE (0.49) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22517725 0.82 BCHE (0.47) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL22101385 0.80 CHRNA7 (0.54) BCHECHRNA7MEN1KMT2AHTR3E
SCHEMBL21886707 0.80 CHRNA7 (0.54) BCHECHRNA7MEN1KMT2AHTR3E
SCHEMBL27471274 0.80 SLC18A3 (0.55) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL14461205 0.80 CHRNA7 (0.54) BCHECHRNA7MEN1KMT2AHTR3E
SCHEMBL31083157 0.79 BCHE (0.42) BCHECHRM2CHRM4CHRM1CHRM3
SCHEMBL28262599 0.79 BCHE (0.55) BCHECHRM2CHRM4CHRM1CHRM3

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-3237416-B1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2019-05-01 — — EP disclosed
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