SCHEMBL18901533

SCHEMBL18901533

O=C([C@H]1CC[C@@H](NC2CCOCC2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
CCR2 P41597 9/20 0.63
CCR5 P51681 6/20 0.63
LMNA P02545 5/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
USP2 O75604 1/20 0.51
HTT P42858 4/20 0.50
MAPT P10636 2/20 0.50
ALOX12 P18054 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL18901610 1.00 POLB (0.64) POLBCCR2CCR5LMNATSHR
SCHEMBL18901424 0.90 CCR2 (0.60) POLBCCR2CCR5
SCHEMBL18901807 0.89 CCR2 (0.61) POLBCCR2CCR5SMN1; SMN2MAPT
SCHEMBL18901614 0.86 CCR2 (0.67) POLBCCR2CCR5
SCHEMBL18901618 0.86 CCR2 (0.67) POLBCCR2CCR5
SCHEMBL18901526 0.84 CCR2 (0.64) POLBCCR2CCR5
SCHEMBL18901425 0.84 CCR2 (0.68) POLBCCR2CCR5
SCHEMBL4161857 0.84 POLB (0.69) POLBLMNATSHRSMN1; SMN2USP2
SCHEMBL10993938 0.83 POLB (0.90) POLBLMNATSHRSMN1; SMN2USP2
SCHEMBL18901537 0.82 CCR2 (0.70) POLBCCR2CCR5

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