SCHEMBL6984459

SCHEMBL6984459

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.44
FPR2 P25090 4/20 0.44
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
AR P10275 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NR3C1 P04150 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL6986432 0.85 TP53 (0.48) FPR1FPR2TP53RAB9AALDH1A1
SCHEMBL6986003 0.85 RAB9A (0.48) FPR1FPR2TP53RAB9AALDH1A1
SCHEMBL6985377 0.84 RAB9A (0.62) FPR1FPR2TP53RAB9AALDH1A1
SCHEMBL6986809 0.83 RAB9A (0.51) FPR1FPR2TP53RAB9AALDH1A1
SCHEMBL6977731 0.83 TP53 (0.45) FPR1FPR2TP53RAB9AALDH1A1
SCHEMBL6976631 0.81 HSD17B3 (0.46) FPR1FPR2TP53RAB9AALDH1A1
SCHEMBL6985562 0.81 NR3C1 (0.56) FPR1FPR2RAB9AALDH1A1MEN1
SCHEMBL6982938 0.81 NR3C1 (0.51) FPR1FPR2TP53ALDH1A1MEN1
SCHEMBL6984462 0.80 ATM (0.41) FPR1FPR2RAB9AALDH1A1HDAC1
SCHEMBL6987626 0.80 NR3C1 (0.64) FPR1FPR2RAB9AALDH1A1MEN1

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