SCHEMBL13758488

SCHEMBL13758488

CC(C)(C)OC(=O)NC1CCN(C(=O)C2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ CCR2 P41597 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ NOTUM Q6P988 1/20 0.52
▸ LMNA P02545 4/20 0.49
▸ USP2 O75604 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTT P42858 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SYK P43405 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL13613090 1.00 POLB (0.55) POLBCCR2KCNH2NOTUMLMNA
SCHEMBL22499987 0.88 NOTUM (0.57) POLBNOTUMLMNAUSP2SMN1; SMN2
SCHEMBL29689683 0.88 NOTUM (0.57) POLBNOTUMLMNAUSP2SMN1; SMN2
SCHEMBL4329546 0.86 POLB (0.61) POLBCCR2KCNH2NOTUMLMNA
SCHEMBL25174352 0.86 NOTUM (0.53) POLBCCR2KCNH2NOTUMLMNA
SCHEMBL30371872 0.86 NOTUM (0.53) POLBCCR2KCNH2NOTUMLMNA
SCHEMBL18901609 0.84 POLB (0.61) POLBLMNAUSP2SMN1; SMN2TSHR
SCHEMBL13613084 0.81 CCR2 (0.54) CCR2KCNH2SYK
SCHEMBL2187327 0.81 POLB (0.71) POLBNOTUMLMNAUSP2SMN1; SMN2
SCHEMBL6792840 0.81 KDM4D (0.47) GPR119

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-7576089-B2 3-cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION 2009-08-18 — — US disclosed
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