SCHEMBL5038866

SCHEMBL5038866

CN1CC2CC1CN2C(=O)c1n[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.49
▸ EIF4A3 P38919 1/20 0.47
▸ CHRNA7 P36544 3/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ FLT3 P36888 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RIPK1 Q13546 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.43

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
SCHEMBL1176568 1.00 YTHDC1 (0.49) YTHDC1EIF4A3CHRNA7HTR3ACNR1
Formic Acid SCHEMBL5563473 0.95 YTHDC1 (0.45) YTHDC1EIF4A3CHRNA7HTR3ACNR1
SCHEMBL1175853 0.90 CHRNA7 (0.49) YTHDC1EIF4A3CHRNA7HTR3ANPC1
Formic Acid SCHEMBL5562495 0.86 CHRNA7 (0.46) YTHDC1EIF4A3CHRNA7HTR3ANPC1
SCHEMBL5042792 0.86 DYRK1A (0.56) —
SCHEMBL1176610 0.86 DYRK1A (0.56) —
SCHEMBL2013744 0.85 KDM4E (0.46) YTHDC1EIF4A3CHRNA7HTR3ACNR1
SCHEMBL1176210 0.85 KDM4E (0.46) YTHDC1EIF4A3CHRNA7HTR3ACNR1
SCHEMBL5042810 0.85 KDM4E (0.46) YTHDC1EIF4A3CHRNA7HTR3ACNR1
SCHEMBL5042836 0.85 GSK3B (0.45) MAPTRIPK1

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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