SCHEMBL17205237

SCHEMBL17205237

COc1ccc(COc2cc(Br)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.49
AR P10275 2/20 0.48
APP P05067 7/20 0.48
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30724173 0.90 APP (0.54) MAOBARAPPNPC1POLB
SCHEMBL30655811 0.85 MAOB (0.47) MAOBARAPPNPC1POLB
SCHEMBL310367 0.85 MAOB (0.60) MAOBAPPNPC1POLBRAB9A
SCHEMBL9228037 0.84 MAOB (0.57) MAOBAR
SCHEMBL30724171 0.82 AR (0.53) MAOBARAPPNPC1POLB
SCHEMBL7240384 0.81 MAOB (0.53) MAOBAPPNPC1POLBRAB9A
SCHEMBL18164596 0.80 MAOB (0.70) MAOBAPPNPC1POLBRAB9A
SCHEMBL2554931 0.80 MAOB (0.45) MAOBARAPPNPC1POLB
SCHEMBL18164564 0.79 MAOB (0.59) MAOBAPPNPC1RAB9A
SCHEMBL5783571 0.79 NOTUM (0.51) RAB9A

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
WO-2015162538-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS FOR THE TREATMENT OF HYPERPARATHYROIDISM, CHRONIC RENAL FAILURE AND CHRONIC KIDNEY DISEASE LUPIN LIMITED (IN) 2015-10-29 WO disclosed
WO-2015162538-A1 HETEROCYCLIC COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS FOR THE TREATMENT OF HYPERPARATHYROIDISM, CHRONIC RENAL FAILURE AND CHRONIC KIDNEY DISEASE LUPIN LIMITED (IN) 2015-10-29 WO disclosed