SCHEMBL6982704

SCHEMBL6982704

CN(C(=O)c1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.44
ITGA2B P08514 6/20 0.44
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PLAU P00749 1/20 0.40
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 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
SCHEMBL7080783 0.92 POLB (0.48) ITGB3ITGA2BPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL6980241 0.91 POLB (0.48) ITGB3ITGA2BPDK1PDK2PDK3
SCHEMBL6984440 0.88 F2 (0.44) ITGB3ITGA2BPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL6985575 0.87 RXRA (0.48) ITGB3ITGA2BMAPTSMN1; SMN2NPC1
SCHEMBL7956609 0.87 NR3C1 (0.44) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6978012 0.85 NR3C1 (0.49) MAPTALDH1A1POLBTP53
SCHEMBL7948753 0.85 ALDH1A1 (0.44) ITGB3ITGA2BMAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL6982241 0.85 NR3C1 (0.48) MAPTALDH1A1POLBTP53
Hydrochloric Acid SCHEMBL6984887 0.84 ALDH1A1 (0.43) ITGB3ITGA2BMAPTSMN1; SMN2NPC1
SCHEMBL7958817 0.84 NR3C1 (0.47) MAPTALDH1A1POLBTP53

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP claimed
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 claimed
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