SCHEMBL6611519

SCHEMBL6611519

c1c2c(nc3c1CNCC3)CCC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
PNMT P11086 4/20 0.36
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35

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
SCHEMBL6607763 0.96 CYP3A4 (0.47) CYP3A4POLBSMN1; SMN2HTR2CHTR2A
Hydrochloric Acid SCHEMBL31647521 0.85 PRNP (0.39) CYP3A4SMN1; SMN2PRNPRXFP1HTR2C
SCHEMBL10144361 0.81 PRNP (0.50) SMN1; SMN2PRNPRXFP1NPC1KDM4E
Hydrochloric Acid SCHEMBL31648022 0.81 ALOX15 (0.39) CYP3A4SMN1; SMN2PRNPRXFP1HTR2C
SCHEMBL12507660 0.79 SMN1; SMN2 (0.48) SMN1; SMN2PRNPRXFP1NPC1KDM4E
SCHEMBL529327 0.76 SMN1; SMN2 (0.50) SMN1; SMN2PRNPRXFP1NPC1KDM4E
SCHEMBL18389138 0.74 PNMT (0.52) PNMTCD44MAOBADRA2AADRA2B
SCHEMBL12507659 0.74 SMN1; SMN2 (0.48) POLBSMN1; SMN2PRNPRXFP1NPC1
SCHEMBL11729324 0.74 SMN1; SMN2 (0.48) POLBSMN1; SMN2PRNPRXFP1NPC1
SCHEMBL14635533 0.70 CYP3A4 (0.45) CYP3A4POLBSMN1; SMN2HTR2CPNMT

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