SCHEMBL6608441

SCHEMBL6608441

c1ccc(-c2c3c(nc4ccccc24)CCNC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
HTR2C P28335 3/20 0.48
HTR2A P28223 2/20 0.48
HTR2B P41595 2/20 0.48
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
PRCP P42785 1/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
SLC22A2 O15244 1/20 0.42

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 SCHEMBL6610702 0.98 MAPT (0.72) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL11839438 0.91 MAPT (0.60) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL11831047 0.89 MAPT (0.56) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL6611810 0.84 MAPT (0.97) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL6607314 0.82 MAPT (0.56) MAPTHTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL6610212 0.81 MAPT (0.58) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL7976500 0.80 ALDH1A1 (0.54) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL6607889 0.80 MAPT (0.60) MAPTHTR2CHTR2AHTR2BCYP3A4
SCHEMBL6610838 0.80 ACHE (0.62) MAPTCYP3A4ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL7976524 0.79 ALDH1A1 (0.56) 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 6 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-6433174-B1 Process for producing novel naphthyridine derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
EP-1142892-A1 PROCESSES FOR THE PREPARATION OF NOVEL NAPHTHYRIDINE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2001-10-10 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