SCHEMBL9797072

SCHEMBL9797072

Cc1ccccc1CN1CC(CN)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ P2RX7 Q99572 3/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ GSK3B P49841 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ TRPC5 Q9UL62 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL9456627 0.84 CXCR4 (0.52) KMT2ASMN1; SMN2MEN1SIRT2SIRT1
SCHEMBL24718266 0.80 SIRT2 (0.48) KMT2ASIRT2SIRT1P2RX7TRPC5
Nebracetam SCHEMBL195354 0.79 HPGD (0.60) KMT2ASMN1; SMN2MAPTP2RX7HPGD
SCHEMBL9456736 0.77 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2MEN1HPGDTSHR
SCHEMBL13950136 0.72 ACHE (0.59) KMT2ASMN1; SMN2MEN1MAPTP2RX7
SCHEMBL9456892 0.72 HPGD (0.44) KMT2ASMN1; SMN2P2RX7HPGDTSHR
SCHEMBL10639529 0.71 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1SIRT2SIRT1
SCHEMBL9456386 0.71 ALDH1A1 (0.44) KMT2ASMN1; SMN2MEN1SIRT2SIRT1
Nebracetam SCHEMBL1030649 0.71 HPGD (0.51) KMT2ASMN1; SMN2MAPTP2RX7HPGD
Nebracetam SCHEMBL1030651 0.71 HPGD (0.51) KMT2ASMN1; SMN2MAPTP2RX7HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5073671-A Nootropic and antihypoxic agents BOEHRINGER INGELHEIM KG (DE) 1991-12-17 — — US disclosed
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