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Sugi Predict / Compounds / SCHEMBL18901424

SCHEMBL18901424

SCHEMBL18901424

O=C(C1CCC(NC2CCOCC2)C1)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 8/20 0.60
▸ CCR5 P51681 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ EPHX2 P34913 3/20 0.44
▸ AKR1C3 P42330 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL18901807 0.90 CCR2 (0.61) CCR2CCR5POLBEPHX2AKR1C3
SCHEMBL18901610 0.90 POLB (0.64) CCR2CCR5POLB
SCHEMBL18901533 0.90 POLB (0.64) CCR2CCR5POLB
SCHEMBL18901612 0.79 AKR1C3 (0.57) CCR2CCR5EPHX2AKR1C3
SCHEMBL18901526 0.78 CCR2 (0.64) CCR2CCR5POLBEPHX2KCNH2
SCHEMBL18901677 0.77 CCR2 (0.56) CCR2CCR5POLBPIK3CDPIK3CA
SCHEMBL18901614 0.77 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL18901618 0.77 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL19337949 0.76 CCR2 (0.63) CCR2EPHX2KCNH2
SCHEMBL14100727 0.76 CCR2 (0.63) CCR2EPHX2KCNH2

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-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 — — EP disclosed