SCHEMBL6189508

SCHEMBL6189508

Cc1cccc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
MAPT P10636 7/20 0.40
GFER P55789 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4017737 0.85 CCR1 (0.61) CCR1
SCHEMBL27764747 0.83 CCR1 (0.49) CCR1MAPTGFERSMN1; SMN2TSHR
SCHEMBL27764744 0.78 CCR1 (0.54) CCR1MAPTGFERSMN1; SMN2TSHR
SCHEMBL4019904 0.77 CCR1 (0.53) CCR1MAPTLMNAALDH1A1
SCHEMBL6186440 0.76 CCR1 (0.48) CCR1
SCHEMBL4015187 0.75 CCR1 (0.49) CCR1MAPTSMN1; SMN2LMNA
SCHEMBL4015911 0.74 CCR1 (0.54) CCR1
SCHEMBL4016493 0.74 CCR1 (0.39) CCR1MAPTTSHRPOLBLMNA
SCHEMBL4019875 0.74 CCR1 (0.45) CCR1
SCHEMBL2875554 0.73 CCR1 (0.74) CCR1MAPTTSHRTP53MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed