SCHEMBL20083956

SCHEMBL20083956

O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc(CCN2CCC(O)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.53
▸ UBE2M P61081 2/20 0.48
▸ DCUN1D1 Q96GG9 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PDGFRB P09619 1/20 0.43
▸ KDR P35968 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
SCHEMBL21844912 0.83 MCHR1 (0.42) MCHR1
SCHEMBL20083976 0.82 ACKR3 (0.49) —
SCHEMBL20083992 0.82 POLB (0.43) LMNATP53KDR
SCHEMBL21844836 0.81 ACKR3 (0.51) —
SCHEMBL20083898 0.80 KDR (0.44) KDR
SCHEMBL21844832 0.79 ACKR3 (0.50) TP53MAPT
SCHEMBL19157145 0.79 POLB (0.42) KDR
SCHEMBL21844944 0.79 HTR1A (0.54) UBE2MDCUN1D1TP53MAPT
SCHEMBL20083978 0.78 ACKR3 (0.43) TP53MAPT
SCHEMBL19157226 0.78 HTR1A (0.41) TP53KDR

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-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
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