SCHEMBL14724209

SCHEMBL14724209

COc1cc(N2CCN(C(=O)CCI)[C@@H](C)C2)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.42
PPOX P50336 2/20 0.41
ROCK2 O75116 3/20 0.40
PRKG1 Q13976 3/20 0.40
TACR3 P29371 2/20 0.40
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
CHRM4 P08173 1/20 0.38
CHRM1 P11229 2/20 0.38

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
SCHEMBL1639548 0.89 CCR1 (0.47) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL1639550 0.89 CCR1 (0.47) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL12765552 0.89 CCR1 (0.47) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL3464356 0.81 CCR1 (0.59) CCR1
SCHEMBL3464357 0.81 CCR1 (0.59) CCR1
SCHEMBL4811812 0.80 CXCR3 (0.50) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL13229276 0.79 MAPT (0.44) CCR1MAPTALDH1A1LMNAROCK2
SCHEMBL3859958 0.77 CCR1 (0.66) CCR1
SCHEMBL13869126 0.77 CCR1 (0.48) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL13869125 0.77 CCR1 (0.49) CCR1SUV39H2ROCK2PRKG1TACR3

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-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed