SCHEMBL8122988

SCHEMBL8122988

O=C(Nc1cc2ccccc2[nH]1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ AHR P35869 1/20 0.47
▸ GRIK1 P39086 1/20 0.47
▸ ITK Q08881 1/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ PARP14 Q460N5 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL9269321 0.78 GRIK1 (0.56) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL31184828 0.77 CDK4 (0.41) SMN1; SMN2NPC1RAB9AAHRPARP14
SCHEMBL5515054 0.77 GRIK1 (0.51) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL4413986 0.77 MTNR1A (0.53) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL31487774 0.77 MTNR1A (0.53) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL5493171 0.77 KDM4E (0.51) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL9121651 0.77 FAAH (0.50) SMN1; SMN2NPC1RAB9APOLBAHR
SCHEMBL31184955 0.76 AHR (0.39) SMN1; SMN2POLBHPGDAHRLMNA
SCHEMBL4410319 0.76 DRD2 (0.49) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL34461886 0.76 DRD2 (0.49) SMN1; SMN2NPC1RAB9AHPGDAHR

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
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 — — EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 — — WO disclosed
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