SCHEMBL6981429

SCHEMBL6981429

CCN(CC)C(=O)c1cccc2c1N(C(=O)CCc1ccc(C(=N)N)cc1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
AVPR2 P30518 2/20 0.40
OXTR P30559 2/20 0.40
AVPR1A P37288 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F10 P00742 6/20 0.39
F7 P08709 5/20 0.38
PTGER4 P35408 5/20 0.37
PTGER2 P43116 5/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7083792 0.86 PLAU (0.40) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6986544 0.84 PTGER4 (0.39) AVPR2OXTRAVPR1APTGER4PTGER2
SCHEMBL6981425 0.81 F2 (0.41) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL7411820 0.80 AVPR2 (0.52) AVPR2OXTRAVPR1AMAPTNPC1
Hydrochloric Acid SCHEMBL6981863 0.80 F2 (0.41) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6986115 0.80 ITGB3 (0.40) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6982999 0.77 ALDH1A1 (0.41) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6985025 0.77 F7 (0.42) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6982528 0.76 MRGPRX1 (0.47) F2PLGPRSS1TPSAB1TPSD1
SCHEMBL6981750 0.75 AVPR2 (0.38) F2PLGPRSS1TPSAB1TPSD1

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