SCHEMBL7963460

SCHEMBL7963460

CCCCCCOCc1cc(Br)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
ALOX5 P09917 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8800659 0.88 ALDH1A1 (0.43) SMN1; SMN2NPSR1ALDH1A1LMNAMEN1
SCHEMBL7958892 0.86 SLC6A4 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1HTT
SCHEMBL7960480 0.85 USP28 (0.35) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7963068 0.84 USP28 (0.34) ALDH1A1LMNAMEN1KMT2AUSP28
SCHEMBL27477789 0.84 CCR5 (0.36) SMN1; SMN2NPSR1ALDH1A1LMNAMEN1
SCHEMBL7959896 0.84 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4TSHRTP53
SCHEMBL7959344 0.84 KDM4E (0.42) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7963454 0.83 USP28 (0.41) SMN1; SMN2NPSR1ALDH1A1MEN1HTT
SCHEMBL7957287 0.83 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ARAB9AUSP28
SCHEMBL7948978 0.82 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4TSHRTP53

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 5 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
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed