SCHEMBL7959871

SCHEMBL7959871

CCCNc1nc(C2CCNC(c3ccccc3)C2)c2nccc-2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRNA7 P36544 1/20 0.32
BCHE P06276 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC4 Q9UBN4 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PTPN11 Q06124 3/20 0.31

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 SCHEMBL5773960 0.99 KDM4E (0.34) KDM4EALDH1A1CHRNA7BCHETRPC3
SCHEMBL5774286 0.89 STK17A (0.30) MEN1KMT2ASMN1; SMN2TAAR1PTPN11
SCHEMBL5773791 0.88 ACHE (0.30) PTPN11
Hydrochloric Acid SCHEMBL5775437 0.87
SCHEMBL5776304 0.87 PRCP (0.32)
Hydrochloric Acid SCHEMBL5776452 0.86
Hydrochloric Acid SCHEMBL5775517 0.85 MMP12 (0.32)
SCHEMBL5773246 0.83 CHRNA7 (0.34) CHRNA7
Hydrochloric Acid SCHEMBL5772701 0.82 CHRNA7 (0.33) CHRNA7
Hydrochloric Acid SCHEMBL8125138 0.81

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 1 patent. 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