SCHEMBL7651646

SCHEMBL7651646

CCC(C(=O)Nc1ccc(N(CC)CC)cc1)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 1/20 0.67
ALDH1A1 P00352 1/20 0.53
CRHBP P24387 2/20 0.52
CRHR2 Q13324 2/20 0.52
MAPT P10636 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
GFER P55789 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7654953 0.85 MAPT (0.50) HTTSMN1; SMN2LMNAALDH1A1CRHBP
SCHEMBL1594108 0.82 SMN1; SMN2 (0.56) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL23752483 0.80 SMN1; SMN2 (1.00) HTTSMN1; SMN2LMNAALDH1A1CRHBP
SCHEMBL4315996 0.80 SMN1; SMN2 (1.00) HTTSMN1; SMN2LMNAALDH1A1CRHBP
SCHEMBL7652098 0.80 MAPT (0.52) HTTSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL7655294 0.75 NPY1R (0.65) HTTSMN1; SMN2LMNAALDH1A1CRHBP
SCHEMBL7651061 0.73 RAB9A (0.60) HTTSMN1; SMN2ALDH1A1MAPTHDAC3
SCHEMBL7752354 0.71 ALDH1A1 (0.82) HTTSMN1; SMN2LMNAALDH1A1CRHBP
SCHEMBL19074542 0.71 ALDH1A1 (0.82) HTTSMN1; SMN2LMNAALDH1A1CRHBP
SCHEMBL11615357 0.71 NAMPT (0.69) HTTKMT2AGAA

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-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed