SCHEMBL7849640

SCHEMBL7849640

CN[C@H]1C=CC[C@H]2CNC[C@H]21

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL7849641 1.00 CHRNB2 (0.32) CHRNB2CHRNA7CHRNA4
SCHEMBL7849639 1.00 CHRNB2 (0.32) CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL8806138 0.98 CHRNB2 (0.32) CHRNB2CHRNA7CHRNA4
SCHEMBL8204262 0.80 KCNH2 (0.32)
SCHEMBL8797273 0.74
SCHEMBL9136485 0.74
SCHEMBL7863741 0.73 CHRNB2 (0.30) CHRNB2CHRNA7CHRNA4
SCHEMBL23268302 0.71 NFKB1 (0.40)
SCHEMBL7849693 0.69 CCR5 (0.33)
SCHEMBL8203385 0.69 CCR5 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed