SCHEMBL8705481

SCHEMBL8705481

CCc1cc(N(C(=O)O)c2ccccc2)cnc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GLA P06280 1/20 0.37
GRM1 Q13255 1/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PTGIR P43119 1/20 0.34
MLYCD O95822 1/20 0.33

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
SCHEMBL8699760 0.73 ALDH1A1 (0.39) POLBNPSR1ALDH1A1TSHRKMT2A
M-Xylene SCHEMBL29227716 0.72 RAB9A (0.50) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL1037096 0.72 PTGIR (0.52) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL8700462 0.71 GRM1 (0.40) POLBNPSR1ALDH1A1TSHRHTT
SCHEMBL7626374 0.71 MEN1 (0.40) POLBTSHRKMT2ANPC1RAB9A
SCHEMBL19778 0.71 NPSR1 (0.70) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL2092268 0.71 RAB9A (0.53) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL19714098 0.70 NPSR1 (0.40) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL8699064 0.70 L3MBTL1 (0.39) POLBNPSR1ALDH1A1TSHRKMT2A
SCHEMBL5590843 0.69 NPSR1 (0.47) POLBNPSR1ALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed