SCHEMBL5773939

SCHEMBL5773939

Cc1ncc2[nH]c(N3CCCCC3)c(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 0.41
KCNMA1 Q12791 2/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
S1PR2 O95136 1/20 0.34
MAPT P10636 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 SCHEMBL7959917 0.99 NPY5R (0.40) NPY5RKCNMA1KDM4ELMNAHTT
SCHEMBL25251956 0.69 BCHE (0.46) NPY5RKDM4ESMN1; SMN2NPSR1HPGD
Benzene SCHEMBL26677210 0.67 BCHE (0.48) NPY5RKDM4ESMN1; SMN2NPSR1ALDH1A1
Pyrimidine SCHEMBL26677245 0.65 BCHE (0.43) NPY5RSMN1; SMN2NPSR1HPGDTSHR
SCHEMBL25559304 0.63 MEN1 (0.46) NPY5RKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL27984526 0.63 SMN1; SMN2 (0.41) NPY5RSMN1; SMN2ALDH1A1
SCHEMBL9881482 0.61 MAPT (0.44) KDM4EHTTSMN1; SMN2MAPTNPSR1
SCHEMBL27984920 0.61 SMN1; SMN2 (0.39) LMNASMN1; SMN2MAPTALDH1A1HSD17B10
SCHEMBL10897306 0.61 GABRA1 (0.51) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5773947 0.60 NPY5R (0.41) NPY5RKDM4EHPGD

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
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 claimed
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