SCHEMBL7317027

SCHEMBL7317027

CC(C)C[C@H](N)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 3/20 0.56
SCN9A Q15858 1/20 0.52
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
LTA4H P09960 1/20 0.45
MME P08473 1/20 0.45
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
CTRB1 P17538 2/20 0.44
CASR P41180 1/20 0.44
SLC7A5 Q01650 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7657880 1.00 LARS1 (0.56) LARS1SCN9ALMNAALDH1A1TSHR
SCHEMBL7370114 0.86 SLC6A9 (0.49) LARS1SCN9ALMNAALDH1A1TSHR
SCHEMBL7307439 0.83 CTSC (0.55) LMNATSHRPOLBMEN1KMT2A
SCHEMBL7307442 0.83 CTSC (0.55) LMNATSHRPOLBMEN1KMT2A
SCHEMBL9116086 0.82 LTA4H (0.45) LMNATSHRMMP9MMP8LTA4H
SCHEMBL7316402 0.81 CTRB1 (0.63) LMNATSHRCTRB1MEN1KMT2A
SCHEMBL11038909 0.81 SCN9A (0.56) SCN9AALDH1A1LTA4HANPEPRNPEP
SCHEMBL7319572 0.80 CNR1 (0.60) LARS1ANPEPRNPEPDNPEPCASR
SCHEMBL7666024 0.80 CNR1 (0.60) LARS1ANPEPRNPEPDNPEPCASR
Leucine SCHEMBL28317734 0.79 SLC7A5 (0.56) LARS1LMNAALDH1A1LTA4HMME

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
US-5877277-A ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTITUMOR AGENTS WITH MODIFIED AMINO ACIDS FOR COMPETITIVE INHIBITION OF NATURALLY OCCURING PEPTIDE BY BINDING TO RECEPTORS; TREATMENT OF GASTROINTESTINAL DISORDERS BIOMEASURE, INC. (US) 1999-03-02 US disclosed
US-5750646-A ANTICARCINOGENIC AGENTS; ANTIINFLAMMATORY AGENTS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1998-05-12 US disclosed
US-5736517-A ADMINISTERING TO TREAT COLON, PROSTATE OR BREAST CANCER BIOMEASURE, INC. (US) 1998-04-07 US disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed