SCHEMBL7743726

SCHEMBL7743726

NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MPO P05164 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
HIF1A Q16665 1/20 0.60
POLB P06746 2/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58

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
SCHEMBL8818066 1.00 HDAC8 (0.60) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL8689585 0.86 HDAC8 (0.63) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL8689596 0.86 HDAC8 (0.63) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL8486565 0.86 KDM4E (0.60) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL8697785 0.86 KDM4E (0.60) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL8697778 0.86 KDM4E (0.60) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL7674478 0.86 POLB (0.67) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL30736497 0.85 MAPT (0.69) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL901463 0.85 MAPT (0.69) HDAC8MAPTMEN1KMT2ALMNA
SCHEMBL8690029 0.85 HDAC8 (0.60) HDAC8MAPTMEN1KMT2ALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819005-A4 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2001-03-21 EP disclosed
US-5792760-A USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
US-5773441-A PRODRUGS; ANIMAL HUSBANDRY ELI LILLY AND COMPANY (US) 1998-06-30 US disclosed
EP-0819005-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-01-21 EP disclosed
WO-1997038692-A1 BISINDOLES FOR TREATING PAIN OR NOCICEPTION ELI LILLY AND COMPANY (US) 1997-10-23 WO disclosed
EP-0761220-A1 2-Acylaminopropanamides as growth hormone secretagogues ELI LILLY AND COMPANY (US) 1997-03-12 EP disclosed
WO-1997006803-A1 2-ACYLAMINOPROPANAMIDES AS GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 1997-02-27 WO disclosed
US-5565568-A USEFUL IN TREATMENT OR PREVENTION OF A PHYSIOLOGICAL DISORDER ASSOCIATED WITH AN EXCESS OF TACHYKININS ELI LILLY AND COMPANY (US) 1996-10-15 US disclosed
WO-1996031214-A1 2-ACYLAMINOPROPANAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed