SCHEMBL13066136

SCHEMBL13066136

Cc1c(Br)c(CF)nn1CC(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.61
TP53 P04637 2/20 0.51
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ME2 P23368 1/20 0.48
ME1 P48163 1/20 0.48
ME3 Q16798 1/20 0.48

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
SCHEMBL2873980 0.89 CCR1 (0.64) CCR1TP53MAPTPOLBALDH1A1
SCHEMBL2874558 0.87 CCR1 (0.61) CCR1TP53MAPTPOLBSMN1; SMN2
SCHEMBL2873051 0.85 CCR1 (0.77) CCR1
SCHEMBL13682907 0.80 CCR1 (0.64) CCR1TP53MAPTPOLBSMN1; SMN2
SCHEMBL2870322 0.80 CCR1 (0.64) CCR1TP53MAPTPOLBALDH1A1
SCHEMBL14039628 0.80 CCR1 (0.64) CCR1TP53MAPTPOLBSMN1; SMN2
SCHEMBL2875360 0.79 ME2 (0.55) CCR1MAPTPOLBALDH1A1ME2
SCHEMBL14626295 0.79 CCR1 (0.62) CCR1TP53MAPTPOLBSMN1; SMN2
SCHEMBL2872952 0.78 CCR1 (0.74) CCR1TP53
SCHEMBL13024641 0.77 CCR1 (0.60) CCR1TP53MAPTPOLBALDH1A1

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-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed