SCHEMBL7423007

SCHEMBL7423007

N#Cc1cccc(CN2CC[C@H](NC(=O)c3ccccn3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.52
GRM4 Q14833 1/20 0.49
RIPK1 Q13546 5/20 0.48
FNTA P49354 5/20 0.46
FNTB P49356 5/20 0.46
PGGT1B P53609 5/20 0.46
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 1/20 0.46
PRKAA2 P54646 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACKR3 P25106 1/20 0.43
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
CRBN Q96SW2 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL7424674 0.85 HDAC1 (0.52) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7417098 0.85 ROCK2 (0.47) RIPK1FNTAFNTBPGGT1BKCNH2
SCHEMBL7425114 0.84 GRM5 (0.45) GRM5GRM4FNTAFNTBPGGT1B
SCHEMBL8040878 0.84 CRBN (0.41) GRM5RIPK1FNTAFNTBPGGT1B
SCHEMBL7418566 0.82 F10 (0.47) RIPK1FNTAFNTBPGGT1BKCNH2
SCHEMBL7422616 0.81 BRD4 (0.45) RIPK1FNTAFNTBPGGT1BKCNH2
SCHEMBL7418733 0.81 CCKBR (0.52) HDAC1HDAC8HDAC6F10
SCHEMBL7423011 0.81 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7421293 0.81 BRD4 (0.47) RIPK1FNTAFNTBPGGT1BKCNH2
SCHEMBL7420184 0.81 SRC (0.49) RIPK1FNTAFNTBPGGT1BKCNH2

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
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed