SCHEMBL6983653

SCHEMBL6983653

N#Cc1ccc(CCC(=O)N2CCCc3cc(NCC(c4ccccc4)c4ccccc4)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.44
FPR2 P25090 2/20 0.44
EP300 Q09472 3/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM7 Q14831 3/20 0.42
NR3C1 P04150 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
PARP1 P09874 1/20 0.39

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
SCHEMBL6976631 0.88 HSD17B3 (0.46) FPR1FPR2ALDH1A1TSHRMEN1
SCHEMBL6981983 0.86 RAB9A (0.46) FPR1FPR2ALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL6985443 0.85 NR3C1 (0.42) ALDH1A1GRM7NR3C1RAB9ANPC1
SCHEMBL6986003 0.84 RAB9A (0.48) FPR1FPR2ALDH1A1TSHRMEN1
SCHEMBL6976871 0.84 FFAR1 (0.49) FPR1FPR2ALDH1A1TSHRMEN1
SCHEMBL6985377 0.84 RAB9A (0.62) FPR1FPR2ALDH1A1NR3C1RAB9A
SCHEMBL6977072 0.83 FPR1 (0.39) FPR1FPR2EP300ALDH1A1TSHR
SCHEMBL6986432 0.83 TP53 (0.48) FPR1FPR2ALDH1A1TSHRMEN1
SCHEMBL6986809 0.83 RAB9A (0.51) FPR1FPR2ALDH1A1NR3C1RAB9A
SCHEMBL6985994 0.82 POLB (0.43) FPR1FPR2ALDH1A1TSHRMEN1

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