SCHEMBL7849693

SCHEMBL7849693

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

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33

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
SCHEMBL7849697 1.00 CCR5 (0.33) CCR5
SCHEMBL7849695 1.00 CCR5 (0.33) CCR5
SCHEMBL7849719 1.00 CCR5 (0.33) CCR5
SCHEMBL7849716 1.00 CCR5 (0.33) CCR5
SCHEMBL8203385 0.74 CCR5 (0.33) CCR5
SCHEMBL8803549 0.74
SCHEMBL9149467 0.71
SCHEMBL9149472 0.71
SCHEMBL8200535 0.69
SCHEMBL7849641 0.69 CHRNB2 (0.32)

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 2 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
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed