SCHEMBL30864294

SCHEMBL30864294

CN1CCC[C@@H]1c1cc2ccc(N)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
PARP1 P09874 3/20 0.39

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
SCHEMBL13634946 0.81 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30205030 0.78 HRH4 (0.49) HRH4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22112660 0.74 KDM4E (0.51) HRH4
SCHEMBL31753410 0.74 CHRNA7 (0.49) HRH4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30864313 0.74 CHRNA7 (0.49) HRH4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL19329852 0.74 MAPT (0.43) HRH4CHRNB2CHRNA4PARP1
SCHEMBL31746690 0.73 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL31746382 0.73 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL30204284 0.73 PARP1 (0.50) PARP1
Hydrochloric Acid SCHEMBL31746350 0.72 CCNT1 (0.36)

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
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed