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Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL3526063

Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1.O=CO

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.77
▸ CCR5 P51681 10/20 0.77

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
SCHEMBL13543352 0.97 KCNH2 (0.81) KCNH2CCR5
SCHEMBL3528185 0.97 KCNH2 (0.81) KCNH2CCR5
SCHEMBL13545022 0.90 KCNH2 (0.83) KCNH2CCR5
SCHEMBL3528203 0.90 KCNH2 (0.83) KCNH2CCR5
SCHEMBL3524213 0.90 KCNH2 (0.79) KCNH2CCR5
SCHEMBL13543809 0.90 KCNH2 (0.79) KCNH2CCR5
SCHEMBL13543123 0.88 CCR5 (1.00) KCNH2CCR5
SCHEMBL13544043 0.88 CCR5 (1.00) KCNH2CCR5
SCHEMBL13543577 0.88 CCR5 (1.00) KCNH2CCR5
SCHEMBL3523862 0.88 CCR5 (1.00) KCNH2CCR5

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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed