SCHEMBL6984356

SCHEMBL6984356

N#Cc1ccc(CCC(=O)N2CCCc3cc(C(=O)NCCc4ccccc4)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 2/20 0.52
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NAMPT P43490 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HAT1 O14929 2/20 0.44
EP300 Q09472 2/20 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
SCHEMBL6979412 0.94 NAMPT (0.49) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7085009 0.91 TP53 (0.49) SMN1; SMN2TP53MAPTNAMPTHDAC1
SCHEMBL6977738 0.89 TP53 (0.51) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7408666 0.88 SMN1; SMN2 (0.52) SMN1; SMN2TP53MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL7956410 0.86 F2 (0.52) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL7964635 0.86 TP53 (0.47) SMN1; SMN2TP53HDAC1HDAC8HDAC6
SCHEMBL6977395 0.86 TP53 (0.46) SMN1; SMN2TP53MAPTRAB9ANPC1
SCHEMBL6981022 0.86 TP53 (0.51) TP53HDAC1HDAC8HDAC6
SCHEMBL6980215 0.85 TP53 (0.42) SMN1; SMN2TP53MAPTNPC1NAMPT
SCHEMBL7409209 0.85 IDO1 (0.60) SMN1; SMN2TP53MAPTHDAC1HDAC8

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed