SCHEMBL21844912

SCHEMBL21844912

N#CCc1cc(NC(=O)c2cccc(CCN3CCC(O)C3)c2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 11/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ACKR3 P25106 2/20 0.40
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39

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
SCHEMBL20083898 0.84 KDR (0.44) ROCK2ACKR3
SCHEMBL20083956 0.83 MCHR1 (0.53) MCHR1
SCHEMBL19157226 0.82 HTR1A (0.41) ACKR3
SCHEMBL21844911 0.81 TERT (0.44) MCHR1ROCK2HRH3ACKR3
SCHEMBL20083976 0.80 ACKR3 (0.49) ROCK2ACKR3
SCHEMBL20083992 0.80 POLB (0.43) ROCK2ACKR3
SCHEMBL15280073 0.79 KMT2A (0.51) —
SCHEMBL21844836 0.79 ACKR3 (0.51) ACKR3
SCHEMBL21844832 0.77 ACKR3 (0.50) ROCK2ACKR3
SCHEMBL19157145 0.77 POLB (0.42) ROCK2ACKR3

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-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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