SCHEMBL28802446

SCHEMBL28802446

C=CC(c1ccccc1Cl)S(=O)(=O)N[C@@H]1CCc2cc(C(=O)N(C)C3CCN(c4ccncc4)CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.38
CCR5 P51681 1/20 0.35
ROCK2 O75116 1/20 0.34
NPY5R Q15761 2/20 0.34
GHSR Q92847 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LSS P48449 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL28805793 0.94 F10 (0.38) F10CCR5ROCK2NPY5RADORA2A
SCHEMBL27902675 0.91 CCR5 (0.34) F10CCR5ROCK2NPY5RADORA2A
SCHEMBL27920430 0.85 CCR5 (0.34) F10CCR5ROCK2NPY5RADORA2A
SCHEMBL784867 0.85 F10 (0.41) F10CCR5ROCK2NPY5RLSS
SCHEMBL27902601 0.81 NPY5R (0.36) F10CCR5ROCK2NPY5R
SCHEMBL785212 0.81 F10 (0.39) F10NPY5R
SCHEMBL785698 0.81 TAS1R3 (0.44) F10
SCHEMBL785404 0.81 TAS1R3 (0.44) F10
SCHEMBL784219 0.79 F10 (0.41) F10CCR5NPY5RLSSJAK2
SCHEMBL785594 0.79 F10 (0.38) F10CCR5ROCK2NPY5RJAK2

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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed