SCHEMBL7963340

SCHEMBL7963340

CCCCN(C)Cc1c(COc2ccc(Cl)cc2)n(C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 8/20 0.57
HTR5A P47898 2/20 0.41
SMPD1 P17405 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC2A1 P11166 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7956731 0.85 NPY1R (0.65) NPY1RHTR5ATSHRKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL7949110 0.84 NPY1R (0.58) NPY1RHTR5ASMPD1TSHRKDM4E
Hydrochloric Acid SCHEMBL7959211 0.82 NPY1R (0.61) NPY1RHTR5ATSHRKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL7960173 0.81 NPY1R (0.59) NPY1RHTR5ASMPD1TSHRKDM4E
SCHEMBL7948979 0.78 NPY1R (0.67) NPY1RHTR5ATSHRKDM4EL3MBTL1
SCHEMBL7960741 0.76 NPY1R (0.58) NPY1RHTR5ATSHRKDM4EL3MBTL1
SCHEMBL7963645 0.76 NPY1R (0.70) NPY1RHTR5ATSHRKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL27495126 0.75 NPY1R (0.58) NPY1RHTR5ATSHRKDM4EL3MBTL1
SCHEMBL7960625 0.75 NPY1R (0.83) NPY1RHTR5ATSHRKDM4EL3MBTL1
SCHEMBL7963470 0.73 KDM4E (0.55) NPY1RKDM4EMEN1KMT2ACYP1A2

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-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
CN-1173867-A Indolyl neuropeptide Y receptor antagonists LILLY CO ELI (US) 1998-02-18 CN disclosed