SCHEMBL5773802

SCHEMBL5773802

Cc1cc2[nH]c(C)nc(NCCN3CCOCC3)c-2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.49
LMNA P02545 3/20 0.47
CYP3A4 P08684 2/20 0.47
ACHE P22303 2/20 0.47
CHRM1 P11229 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CNR1 P21554 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KDM4E B2RXH2 6/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMARCA2 P51531 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL7185043 0.84 ACHE (0.62) NPY5RLMNACYP3A4ACHECHRM1
SCHEMBL5775710 0.71 ALDH1A1 (0.46) NPY5RKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11447792 0.70 ALDH1A1 (0.54) LMNACYP3A4ACHECHRM1CYP1A2
SCHEMBL5773797 0.69 NPY5R (0.72) NPY5RLMNACYP3A4ACHECHRM1
SCHEMBL2234822 0.69 TLR8 (0.54) LMNACYP3A4CHRM1CYP1A2CYP2D6
SCHEMBL2234820 0.69 ALDH1A1 (0.52) LMNACYP3A4ACHECHRM1CYP1A2
SCHEMBL20509943 0.66 POLB (0.51) NPY5RCYP3A4ACHECYP1A2CYP2D6
SCHEMBL7279301 0.66 POLB (0.48) NPY5RLMNACYP3A4CYP1A2CYP2D6
SCHEMBL12263360 0.65 CYP1A2 (0.49) LMNACYP3A4CHRM1CYP1A2CYP2D6
SCHEMBL13763209 0.65 PIK3CG (0.56) LMNACYP3A4CYP1A2CYP2D6KDM4E

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