SCHEMBL14039628

SCHEMBL14039628

Bc1c(C)nn(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.64
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
POLB P06746 1/20 0.51
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13184217 0.87 CCR1 (0.77) CCR1
SCHEMBL2873980 0.86 CCR1 (0.64) CCR1ALDH1A1MAPTTP53LMNA
SCHEMBL2870322 0.86 CCR1 (0.64) CCR1ALDH1A1MAPTTP53LMNA
SCHEMBL14626295 0.85 CCR1 (0.62) CCR1ALDH1A1MAPTTP53LMNA
SCHEMBL1384716 0.82 MAPT (0.78) CCR1ALDH1A1MAPTTP53LMNA
SCHEMBL13682907 0.81 CCR1 (0.64) CCR1ALDH1A1MAPTTP53LMNA
SCHEMBL13066136 0.80 CCR1 (0.61) CCR1ALDH1A1MAPTTP53POLB
SCHEMBL2872952 0.80 CCR1 (0.74) CCR1TP53
SCHEMBL2874558 0.80 CCR1 (0.61) CCR1ALDH1A1MAPTTP53POLB
SCHEMBL14039675 0.79 CCR1 (0.63) CCR1ALDH1A1MAPTTP53LMNA

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-7449576-B1 potent antagonists of the CCR1 receptor; inflammation; (5-Chloro-2-piperazin-1-yl-phenyl)-phenyl-methanone CHEMOCENTRYX, INC. (US) 2008-11-11 US disclosed