SCHEMBL2850550

SCHEMBL2850550

Cc1cccc(CNC(=O)Oc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.54
P2RX7 Q99572 1/20 0.44
SMO Q99835 4/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DDT P30046 1/20 0.41

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
SCHEMBL2854814 0.92 TP53 (0.47) CCR1KDM4EDDT
SCHEMBL2854543 0.92 CCR1 (0.54) CCR1P2RX7NPSR1DDT
SCHEMBL2853351 0.90 CCR1 (0.62) CCR1P2RX7KDM4ENPSR1
SCHEMBL2853277 0.89 CCR1 (0.50) CCR1P2RX7SMO
SCHEMBL2857457 0.89 CCR1 (0.49) CCR1P2RX7SMOKDM4ENPSR1
SCHEMBL2855710 0.88 LMNA (0.46) CCR1P2RX7SMO
SCHEMBL2854804 0.88 MAPK1 (0.48) CCR1P2RX7SMOKDM4E
SCHEMBL2863210 0.84 CCR1 (0.50) CCR1P2RX7SMOKDM4ENPSR1
SCHEMBL2854847 0.84 ALDH1A1 (0.48) CCR1P2RX7SMOKDM4E
SCHEMBL2856797 0.84 P2RX7 (0.45) CCR1P2RX7SMO

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed