SCHEMBL7948978

SCHEMBL7948978

CNCCCCOCc1cc(Br)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SLC6A4 P31645 2/20 0.37
USP28 Q96RU2 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 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
SCHEMBL7959896 0.99 ALDH1A1 (0.37) ALDH1A1SLC6A4USP28LMNAL3MBTL1
SCHEMBL7959191 0.96 ALDH1A1 (0.41) ALDH1A1SLC6A4USP28LMNABRD4
SCHEMBL7957090 0.90 SLC6A4 (0.39) ALDH1A1SLC6A4USP28LMNABRD4
SCHEMBL7957287 0.86 ALDH1A1 (0.44) ALDH1A1USP28LMNACYP1A2USP25
SCHEMBL7949193 0.85 RAB9A (0.47) ALDH1A1USP28LMNAUSP25
SCHEMBL7949117 0.85 NPSR1 (0.46) ALDH1A1USP28LMNACYP1A2CYP2C9
SCHEMBL8800659 0.85 ALDH1A1 (0.43) ALDH1A1USP28LMNACYP1A2TSHR
SCHEMBL7958892 0.84 SLC6A4 (0.43) ALDH1A1SLC6A4USP28LMNAL3MBTL1
SCHEMBL7963460 0.82 SMN1; SMN2 (0.40) ALDH1A1USP28LMNATP53CYP3A4
SCHEMBL7963068 0.82 USP28 (0.34) ALDH1A1SLC6A4USP28LMNABRD4

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