SCHEMBL5039129

SCHEMBL5039129

O=C(c1n[nH]c2ccccc12)N1CC2CC1CN2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 1/20 0.47
▸ CHRNA7 P36544 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ YTHDC1 Q96MU7 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ RBP4 P02753 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CHRNB3 Q05901 1/20 0.43
▸ CHRNA6 Q15825 1/20 0.43
▸ PARP1 P09874 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
SCHEMBL1176116 1.00 EIF4A3 (0.47) EIF4A3CHRNA7HTR3ACNR1CNR2
Hydrochloric Acid SCHEMBL1175574 0.99 EIF4A3 (0.47) EIF4A3CHRNA7HTR3ACNR1CNR2
SCHEMBL1176110 0.89 EIF4A3 (0.47) EIF4A3CHRNA7HTR3ACNR1CNR2
Hydrochloric Acid SCHEMBL1175794 0.88 EIF4A3 (0.46) EIF4A3CHRNA7HTR3ACNR1CNR2
SCHEMBL1385917 0.85 HRH4 (0.42) EIF4A3RBP4MAPTCHRNB2CHRNA3
SCHEMBL5046315 0.85 IDO1 (0.45) EIF4A3RBP4CHRNB2CHRNA3CHRNA4
SCHEMBL2600879 0.85 IDO1 (0.45) EIF4A3RBP4CHRNB2CHRNA3CHRNA4
SCHEMBL5043665 0.85 HRH4 (0.42) EIF4A3RBP4MAPTCHRNB2CHRNA3
Hydrochloric Acid SCHEMBL1176083 0.84 IDO1 (0.44) EIF4A3RBP4CHRNB2CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL1176347 0.84 HRH4 (0.41) EIF4A3RBP4MAPTCHRNB2CHRNA3

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
US-7396833-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2008-07-08 — — US claimed
EP-1697378-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2007-11-21 — — EP claimed
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