Carbamic Acid

Carbamic Acid

SCHEMBL7510846

CCCSc1nc(NC2CC2)c2nnn([C@@H]3CC[C@@H](O)[C@H]3O)c2n1.NC(=O)O

nearest known ligand 0.66

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 19/20 0.66
▸ CYP2C9 P11712 1/20 0.43

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
Bicarbonate SCHEMBL7507037 0.96 P2RY12 (0.68) P2RY12CYP2C9
SCHEMBL5728838 0.94 P2RY12 (0.70) P2RY12CYP2C9
SCHEMBL5728835 0.94 P2RY12 (0.70) P2RY12CYP2C9
SCHEMBL6996910 0.92 P2RY12 (0.63) P2RY12CYP2C9
Carbamic Acid SCHEMBL7511690 0.87 P2RY12 (0.72) P2RY12
Carbamic Acid SCHEMBL7515314 0.86 P2RY12 (0.61) P2RY12
Carbamic Acid SCHEMBL7509188 0.85 P2RY12 (0.92) P2RY12CYP2C9
SCHEMBL7510925 0.84 P2RY12 (0.76) P2RY12
SCHEMBL7510916 0.84 P2RY12 (0.76) P2RY12
SCHEMBL6990249 0.84 P2RY12 (0.63) P2RY12

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-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP claimed
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