SCHEMBL6986003

SCHEMBL6986003

N#Cc1ccc(CCC(=O)N2CCCc3cc(NC(=O)CCc4ccccc4)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FPR1 P21462 2/20 0.46
FPR2 P25090 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.45
HSD17B10 Q99714 2/20 0.45
NR3C1 P04150 1/20 0.45
NPC1 O15118 1/20 0.45
MAPK14 Q16539 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL6986809 0.94 RAB9A (0.51) RAB9AALDH1A1FPR1FPR2TP53
SCHEMBL6985377 0.90 RAB9A (0.62) RAB9AALDH1A1GAASMN1; SMN2FPR1
SCHEMBL6976631 0.89 HSD17B3 (0.46) RAB9AALDH1A1SMN1; SMN2FPR1FPR2
SCHEMBL6985562 0.86 NR3C1 (0.56) RAB9AALDH1A1SMN1; SMN2FPR1FPR2
SCHEMBL6987626 0.85 NR3C1 (0.64) RAB9AALDH1A1SMN1; SMN2FPR1FPR2
SCHEMBL6986432 0.85 TP53 (0.48) RAB9AALDH1A1SMN1; SMN2FPR1FPR2
SCHEMBL6984459 0.85 FPR1 (0.44) RAB9AALDH1A1GAASMN1; SMN2FPR1
SCHEMBL6983653 0.84 FPR1 (0.44) RAB9AALDH1A1SMN1; SMN2FPR1FPR2
SCHEMBL6985317 0.84 NR3C1 (0.58) SMN1; SMN2TP53MAPTNR3C1MEN1
SCHEMBL6981983 0.84 RAB9A (0.46) RAB9AALDH1A1SMN1; SMN2FPR1FPR2

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 4 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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed