SCHEMBL6534518

SCHEMBL6534518

O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 19/20 0.72
TACR2 P21452 2/20 0.60

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
SCHEMBL6534519 1.00 TACR3 (0.72) TACR3TACR2
SCHEMBL6534365 0.92 TACR3 (0.62) TACR3TACR2
SCHEMBL6534359 0.92 TACR3 (0.62) TACR3TACR2
SCHEMBL6534501 0.92 TACR3 (0.62) TACR3TACR2
SCHEMBL6534503 0.92 TACR3 (0.62) TACR3TACR2
SCHEMBL6534618 0.91 TACR3 (0.61) TACR3TACR2
SCHEMBL6534620 0.91 TACR3 (0.61) TACR3TACR2
SCHEMBL6534624 0.90 DHODH (0.62) TACR3
SCHEMBL6534623 0.90 DHODH (0.62) TACR3
SCHEMBL6534470 0.85 USP2 (0.56) TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983243-B1 NOVEL QUINOLINE- AND NAPHTHALENECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF INHIBITING CALPAIN SMITHKLINE BEECHAM CORP (US) 2004-06-16 EP disclosed
US-6100267-A ENZYME INHIBITOR FOR TREATMENT OF NEURODEGENERATIVE DISORDERS, STROKES, TRAUMATIC BRAIN INJURY, CATARACTS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-08 US disclosed
EP-0983243-A1 NOVEL QUINOLINE- AND NAPHTHALENECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF INHIBITING CALPAIN SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998041506-A1 NOVEL QUINOLINE- AND NAPHTHALENECARBOXAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF INHIBITING CALPAIN SMITHKLINE BEECHAM CORPORATION (US) 1998-09-24 WO disclosed