SCHEMBL6607314

SCHEMBL6607314

c1ccc(-c2c3c(nc4ncccc24)CCNC3)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
ACHE P22303 5/20 0.44
HTR2C P28335 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
CYP3A4 P08684 1/20 0.39
PDE4B Q07343 1/20 0.39
BCHE P06276 3/20 0.38
PRCP P42785 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36

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
Hydrochloric Acid SCHEMBL6610212 0.99 MAPT (0.58) MAPTACHEHTR2CHTR2AHTR2B
SCHEMBL6608441 0.82 MAPT (0.70) MAPTACHEHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6610702 0.81 MAPT (0.72) MAPTACHEHTR2CHTR2AHTR2B
SCHEMBL6608544 0.80 ACHE (0.47) MAPTACHEHTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL6607875 0.78 ACHE (0.46) MAPTACHEHTR2CHTR2AHTR2B
SCHEMBL6607643 0.75 MAPT (0.49) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL11839438 0.74 MAPT (0.60) MAPTACHEHTR2CHTR2AHTR2B
SCHEMBL6611810 0.73 MAPT (0.97) MAPTACHEHTR2CHTR2AHTR2B
SCHEMBL11831047 0.72 MAPT (0.56) MAPTACHEHTR2CHTR2AHTR2B
SCHEMBL6607761 0.69 MAPT (0.48) MAPTHTR2CHTR2AHTR2BCYP3A4

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-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP claimed
EP-0997462-B1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF NIPPON KAYAKU KK (JP) 2004-12-22 EP disclosed
US-6294547-B1 Naphthyridine deratives or salts thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-09-25 US disclosed
EP-0997462-A1 NOVEL NAPHTHYRIDINE DERIVATIVES OR SALTS THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-03 EP disclosed