SCHEMBL6490218

SCHEMBL6490218

COc1cc(CNC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.52
BRAF P15056 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.43
CLK1 P49759 1/20 0.42
FYN P06241 2/20 0.42
POLB P06746 1/20 0.41
GFER P55789 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TP53 P04637 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4859619 0.91 SMN1; SMN2 (0.56) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2949934 0.87 NPC1 (0.60) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2950542 0.85 L3MBTL1 (0.63) L3MBTL1ALDH1A1BRAFSMN1; SMN2NPC1
SCHEMBL2960922 0.83 L3MBTL1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6585821 0.81 BRAF (0.47) L3MBTL1ALDH1A1BRAFSMN1; SMN2NPC1
SCHEMBL7153301 0.80 HTR2A (0.54) L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL27589543 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2960343 0.80 FPR2 (0.56) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2956954 0.79 L3MBTL1 (0.57) L3MBTL1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6585825 0.79 BRAF (0.48) L3MBTL1ALDH1A1BRAFSMN1; SMN2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
CN-1411448-A Pyrazole derivatives which modulate human 5-serotonin receptors ARENA PHARM INC (US) 2003-04-16 CN disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed