SCHEMBL27866883

SCHEMBL27866883

Nc1cncc(N2CCOC(Cl)C2)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 10/20 0.34
▸ CHRNA3 P32297 10/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ CHRNB2 P17787 11/20 0.33
▸ CHRNA4 P43681 11/20 0.33
▸ CD63 P08962 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ ADK P55263 1/20 0.31
▸ HTR6 P50406 1/20 0.30

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
SCHEMBL27883238 0.82 NOS3 (0.33) CHRNB4CHRNA3NOS3NOS1CHRNB2
SCHEMBL28076403 0.82 CHRNB2 (0.35) CHRNB4CHRNA3NOS3NOS1CHRNB2
SCHEMBL2711961 0.76 NOS3 (0.49) NOS3NOS1CHRNB2CHRNA4CD63
Hydrochloric Acid SCHEMBL2195037 0.74 NOS3 (0.48) NOS3NOS1CHRNB2CHRNA4CD63
SCHEMBL27910746 0.73 CHRNB2 (0.36) CHRNB4CHRNA3NOS3NOS1CHRNB2
SCHEMBL24533959 0.72 CHRNB2 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL17796709 0.71 CCR6 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL23707244 0.71 CCR6 (0.42) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL24534142 0.70 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL23770737 0.70 CHRNB2 (0.47) CHRNB2CHRNA4

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-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 — — CN disclosed
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