SCHEMBL9520830

SCHEMBL9520830

CCOC(=O)N1CCC=C(c2nnnn2C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
RXFP1 Q9HBX9 2/20 0.37
CHRM1 P11229 1/20 0.35
MAPT P10636 3/20 0.35
ABL1 P00519 1/20 0.35
POLB P06746 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL9519404 0.79 CHRM2 (0.46) KMT2AALDH1A1NPSR1
SCHEMBL10408544 0.74 CHRM1 (0.33) ALDH1A1CHRM1MAPK1SMN1; SMN2
SCHEMBL13490375 0.68 RAB9A (0.46) KMT2AALDH1A1NPSR1MAPTLMNA
SCHEMBL9624898 0.68 MAPT (0.44) KMT2AALDH1A1NPSR1MAPTABL1
SCHEMBL16299538 0.68 ALDH1A1 (0.43) KMT2AALDH1A1MAPTPOLBLMNA
SCHEMBL2420231 0.67 CHRM3 (0.58) KMT2AALDH1A1NPSR1CHRM1MAPT
SCHEMBL11195135 0.67 ALDH1A1 (0.48) KMT2AALDH1A1NPSR1CHRM1MAPT
SCHEMBL171232 0.66 CDK12 (0.42) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL9456814 0.65 MAPT (0.40) KMT2AALDH1A1NPSR1CHRM1MAPT
SCHEMBL9456810 0.65 MAPT (0.40) KMT2AALDH1A1NPSR1CHRM1MAPT

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
EP-0296721-B1 HETEROCYCLIC COMPOUNDS H. LUNDBECK A/S (DK) 1993-06-23 EP disclosed