SCHEMBL7396548

SCHEMBL7396548

O=C(Nc1ccccc1)c1ccc(C2=CN3CCC2CC3)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 14/20 1.00
▸ CHRM4 P08173 14/20 1.00
▸ CHRM5 P08912 14/20 1.00
▸ CHRM1 P11229 14/20 1.00
▸ CHRM3 P20309 14/20 1.00
▸ PTPN1 P18031 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ LMNA P02545 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.47

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
SCHEMBL7396408 0.73 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5784045 0.72 PTPN1 (0.82) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31337366 0.68 LMNA (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31337279 0.68 MAPT (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23091217 0.67 PTPN1 (0.76) PTPN1PTPN11LMNAMAPTMAPK1
SCHEMBL5784054 0.67 PTPN1 (0.68) PTPN1PTPN11LMNAMAPTMAPK1
SCHEMBL23091206 0.66 PTPN1 (0.66) PTPN1PTPN11LMNAMAPTMAPK1
SCHEMBL4688548 0.65 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31337212 0.65 PTPN1 (0.64) PTPN1PTPN11LMNAMAPTMAPK1
SCHEMBL28958728 0.65 RAB9A (0.63) PTPN1PTPN11LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599937-A Heteroaromatic quinuclidinenes, their use and preparation PHARMACIA AB (SE) 1997-02-04 — — US disclosed
EP-0640082-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1995-03-01 — — EP disclosed
WO-1993023395-A1 HETEROAROMATIC QUINUCLIDINENES, THEIR USE AND PREPARATION KABI PHARMACIA AB (SE) 1993-11-25 — — WO disclosed
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