SCHEMBL6608544

SCHEMBL6608544

Cc1c2c(nc3ncccc13)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.47
BCHE P06276 4/20 0.40
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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 SCHEMBL6607875 0.99 ACHE (0.46) ACHEBCHEHTR2AHTR2CHTR2B
SCHEMBL6607314 0.80 MAPT (0.56) ACHEBCHEHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL6610212 0.79 MAPT (0.58) ACHEBCHEHTR2AHTR2CHTR2B
SCHEMBL7976500 0.78 ALDH1A1 (0.54) ACHEBCHEHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7976524 0.77 ALDH1A1 (0.56) ACHEBCHEHTR2AHTR2CHTR2B
SCHEMBL18210521 0.70 HTR2C (0.41) HTR2AHTR2CHTR2BMAPTPOLB
SCHEMBL11836752 0.70 ALDH1A1 (0.51) ACHEBCHEMAPTPOLBSMN1; SMN2
SCHEMBL1816256 0.69 CYP3A4 (0.48) ACHEHTR2AHTR2CHTR2BPOLB
Hydrochloric Acid SCHEMBL11837304 0.69 ALDH1A1 (0.53) ACHEBCHEMAPTPOLBSMN1; SMN2
SCHEMBL11832472 0.67 ALDH1A1 (0.55) ACHEBCHEHTR2AHTR2CHTR2B

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