SCHEMBL6986115

SCHEMBL6986115

CN(C(=O)c1ccccc1)c1cccc2c1N(C(=O)CCc1ccc(C(=N)N)cc1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGA2B P08514 6/20 0.40
F2 P00734 5/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
AVPR2 P30518 2/20 0.38
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6982999 0.86 ALDH1A1 (0.41) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL6981987 0.86 PTGER4 (0.38) AVPR2OXTRAVPR1ARXRARXRB
SCHEMBL7083792 0.85 PLAU (0.40) ITGB3ITGA2BF2F10PLG
SCHEMBL6982704 0.81 ITGB3 (0.44) ITGB3ITGA2BAVPR2OXTRAVPR1A
SCHEMBL6979635 0.81 ITGB3 (0.40) ITGB3ITGA2BF2F10PLG
SCHEMBL6976368 0.80 ITGB3 (0.39) ITGB3ITGA2BF2F10PLG
SCHEMBL6985025 0.80 F7 (0.42) ITGB3ITGA2BF2F10PLG
SCHEMBL6984810 0.80 PTGER4 (0.38) AVPR2OXTRAVPR1ARXRARXRB
SCHEMBL6981429 0.80 F2 (0.40) ITGB3ITGA2BF2F10PLG
SCHEMBL7080783 0.79 POLB (0.48) ITGB3ITGA2BF2NPC1MAPT

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 6 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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP claimed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO claimed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP 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