SCHEMBL5774939

SCHEMBL5774939

C=C(c1sc2ccccc2c1C)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CES2 O00748 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD11B1 P28845 1/20 0.41
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LIMK1 P53667 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2C P28335 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL5776092 0.82 CES2 (0.42) CES2NPC1RAB9AHPGDALDH1A1
SCHEMBL9111915 0.75 RXFP1 (0.53) PRNPRXFP1NPC1RAB9AHSD11B1
SCHEMBL21507605 0.75 PRNP (0.53) PRNPRXFP1NPC1RAB9AHSD11B1
SCHEMBL12353750 0.70 HTR2C (0.54) PRNPRXFP1CES2NPC1RAB9A
SCHEMBL16598796 0.70 RXFP1 (0.73) PRNPRXFP1NPC1RAB9AHSD11B1
SCHEMBL5116427 0.69 HTT (0.66) HPGDHTTLMNAALDH1A1RECQL
SCHEMBL18970518 0.69 PRNP (0.54) PRNPRXFP1NPC1RAB9AHSD11B1
SCHEMBL21708968 0.69 RXFP1 (0.50) PRNPRXFP1NPC1RAB9AHSD11B1
SCHEMBL27365531 0.69 RXFP1 (0.47) PRNPRXFP1NPC1RAB9AHSD11B1
SCHEMBL584871 0.68 RXFP1 (0.71) PRNPRXFP1HSD11B1HPGDLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed