SCHEMBL7656304

SCHEMBL7656304

O=C(NCC[C@@H]1CC[C@@H](Cc2ccc(F)cc2)CN1)Nc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.53
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
CCR2 P41597 1/20 0.49
FPR2 P25090 1/20 0.49
CNR1 P21554 1/20 0.49
HTR2A P28223 2/20 0.47

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
SCHEMBL6780143 0.89 CCR3 (0.47) CCR3SLC6A2SLC6A4SLC6A3CCR2
SCHEMBL6774304 0.89 CCR3 (0.47) CCR3SLC6A2SLC6A4SLC6A3CCR2
SCHEMBL6774539 0.84 RAB9A (0.56) CCR3CNR1
SCHEMBL6772544 0.84 RAB9A (0.56) CCR3CNR1
SCHEMBL6774792 0.83 CCR3 (0.55) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6773109 0.83 CCR3 (0.55) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6768909 0.83 CCR3 (0.50) CCR3
SCHEMBL6769109 0.83 CCR3 (0.50) CCR3
SCHEMBL6772463 0.81 CCR3 (0.70) CCR3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6774937 0.79 CCR3 (0.51) CCR3SLC6A2SLC6A4SLC6A3HTR2A

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-6441001-B1 2-substituted-4-nitrogen heterocycles as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-27 US disclosed