SCHEMBL7440324

SCHEMBL7440324

O=C(O)N1CCN(C(=O)CCc2c[nH]cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ME2 P23368 2/20 0.37
ME1 P48163 2/20 0.37
ME3 Q16798 2/20 0.37
FKBP1A P62942 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
NAAA Q02083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7501670 0.89 LMNA (0.40) HTR1AHTR7SIGMAR1LMNAMAPT
SCHEMBL13779971 0.88 KMT2A (0.43) ALDH1A1TSHRTDP1POLBL3MBTL1
SCHEMBL7449469 0.85 ALDH1A1 (0.38) ALDH1A1TSHRME2ME1ME3
SCHEMBL7452641 0.79 DRD2 (0.37) KMT2AHTR7SIGMAR1NPSR1
SCHEMBL7663603 0.77 HRH3 (0.36) ALDH1A1TSHRKDM4E
SCHEMBL7451579 0.77 DRD2 (0.41) TDP1POLBL3MBTL1KMT2A
SCHEMBL216266 0.76 FFAR1 (0.39) NPSR1
Hydrochloric Acid SCHEMBL6625511 0.74 FFAR1 (0.38) KDM4ENPSR1
Hydrochloric Acid SCHEMBL1311654 0.74 FFAR1 (0.38) KDM4ENPSR1
SCHEMBL9555245 0.73 ACE (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934293-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1999-08-11 EP disclosed
WO-1998004537-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY ARRIS PHARMACEUTICAL CORPORATION (US) 1998-02-05 WO disclosed