SCHEMBL7182810

SCHEMBL7182810

CC=C(c1ccc(OC)cc1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
TP53 P04637 1/20 0.64
ALDH1A1 P00352 6/20 0.62
HPGD P15428 4/20 0.62
MAPT P10636 3/20 0.62
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
ALOX5 P09917 1/20 0.50
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL11482092 0.85 L3MBTL1 (0.51) SMN1; SMN2L3MBTL1TP53ALDH1A1HPGD
SCHEMBL11482052 0.77 HPGD (0.52) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL11482047 0.77 HPGD (0.52) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL2534411 0.76 HPGD (1.00) SMN1; SMN2L3MBTL1TP53ALDH1A1HPGD
SCHEMBL5949604 0.76 SMN1; SMN2 (0.66) SMN1; SMN2L3MBTL1TP53ALDH1A1HPGD
SCHEMBL11369868 0.76 ALDH1A1 (1.00) SMN1; SMN2L3MBTL1TP53ALDH1A1HPGD
SCHEMBL11475019 0.76 HPGD (0.55) ALDH1A1HPGDHTTGAAMEN1
SCHEMBL2535536 0.75 HPGD (0.96) SMN1; SMN2L3MBTL1TP53ALDH1A1HPGD
SCHEMBL5776155 0.74 HPGD (0.58) SMN1; SMN2ALDH1A1HPGDHTTGAA
SCHEMBL28917005 0.74 HPGD (0.70) SMN1; SMN2L3MBTL1TP53ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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