SCHEMBL13715751

SCHEMBL13715751

Cc1nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(C2OC(C)O2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.57
TSHR P16473 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL13066173 0.85 CCR1 (0.49) CCR1TSHRL3MBTL1TP53MAPT
SCHEMBL13066172 0.84 CCR1 (0.49) CCR1TSHRLMNAMAPTHTT
SCHEMBL14039675 0.82 CCR1 (0.63) CCR1TSHRL3MBTL1TP53LMNA
SCHEMBL13715695 0.80 CCR1 (0.52) CCR1TSHRTP53LMNAMAPT
SCHEMBL13066688 0.79 CCR1 (0.71) CCR1
SCHEMBL13715605 0.79 CCR1 (0.48) CCR1TSHRTP53LMNAMAPT
SCHEMBL2873189 0.77 CCR1 (0.59) CCR1TSHRTP53LMNASMN1; SMN2
SCHEMBL2872952 0.74 CCR1 (0.74) CCR1TP53
SCHEMBL2873980 0.74 CCR1 (0.64) CCR1TP53LMNAMAPTTHRB
SCHEMBL2870322 0.74 CCR1 (0.64) CCR1TP53LMNAMAPTTHRB

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-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed