SCHEMBL6607763

SCHEMBL6607763

c1c2c(nc3c1CNCC3)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
PNMT P11086 3/20 0.36
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
ALOX15 P16050 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL6611519 0.96 CYP3A4 (0.47) CYP3A4HTR2CHTR2ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL31648022 0.85 ALOX15 (0.39) CYP3A4HTR2CHTR2ASMN1; SMN2GAA
SCHEMBL529327 0.81 SMN1; SMN2 (0.50) SMN1; SMN2GAAALOX15ADRA2AADRA2B
Hydrochloric Acid SCHEMBL31647521 0.81 PRNP (0.39) CYP3A4HTR2CHTR2ASMN1; SMN2GAA
SCHEMBL12507660 0.79 SMN1; SMN2 (0.48) SMN1; SMN2GAAALOX15ADRA2AADRA2B
SCHEMBL11729324 0.79 SMN1; SMN2 (0.48) SMN1; SMN2POLBGAAALOX15ADRA2A
SCHEMBL12507659 0.79 SMN1; SMN2 (0.48) SMN1; SMN2POLBGAAALOX15ADRA2A
SCHEMBL10144361 0.76 PRNP (0.50) SMN1; SMN2GAAALOX15
SCHEMBL14635533 0.70 CYP3A4 (0.45) CYP3A4HTR2CSMN1; SMN2POLBPNMT
SCHEMBL18389138 0.70 PNMT (0.52) DRD2PNMTCD44MAOBADRA2A

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