SCHEMBL7959599

SCHEMBL7959599

Cn1c(C(=O)NCC2CCCCC2)c(CN2CCCCC2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
HTR4 Q13639 6/20 0.49
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPY1R P25929 1/20 0.43

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
SCHEMBL7965110 0.84 RAB9A (0.55) KMT2ANPC1ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7958855 0.79 NPY1R (0.51) HTR4ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL6746510 0.76 P2RX7 (0.48) P2RX7HTR4KMT2ANPC1KDM4E
SCHEMBL1020686 0.75 P2RX7 (0.55) P2RX7HTR4KMT2ANPC1KDM4E
SCHEMBL7046652 0.75 P2RX7 (0.47) P2RX7HTR4KMT2ANPC1KDM4E
SCHEMBL7959114 0.74 SMN1; SMN2 (0.50) NPC1ALDH1A1KDM4EMAPTNPY1R
SCHEMBL7958725 0.74 ALDH1A1 (0.55) KMT2ANPC1ALDH1A1KDM4EMEN1
SCHEMBL7959187 0.73 NPY1R (0.56) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL7046082 0.72 P2RX7 (0.44) P2RX7HTR4KMT2ANPC1KDM4E
SCHEMBL1018632 0.72 P2RX7 (0.73) P2RX7HTR4KMT2ANPC1ALDH1A1

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