SCHEMBL30966745

SCHEMBL30966745

O=C(C(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1)N1CC2(COC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.44
▸ ITGB6 P18564 1/20 0.44
▸ ITGB8 P26012 1/20 0.44
▸ MTOR P42345 1/20 0.41
▸ KLRK1 P26718 2/20 0.41
▸ MICA Q29983 2/20 0.41
▸ RAET1L Q5VY80 2/20 0.41
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ LMNA P02545 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
SCHEMBL19283696 1.00 ITGA5 (0.44) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL21821297 0.88 TACR1 (0.48) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL19283810 0.87 KLRK1 (0.53) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL21821288 0.86 KLRK1 (0.52) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL19283862 0.86 KLRK1 (0.52) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL19283725 0.85 ITGA5 (0.48) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL21821319 0.85 ITGA5 (0.49) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL19283627 0.84 ITGA5 (0.46) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL21821304 0.84 HRH4 (0.49) ITGA5ITGB6ITGB8MTORKLRK1
SCHEMBL21821293 0.83 ITGA5 (0.46) ITGA5ITGB6ITGB8MTORKLRK1

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-4618979-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics Inc. (US) 2025-09-24 — — EP claimed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 — — WO claimed
EP-4618979-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Tenvie Therapeutics Inc. (US) 2025-09-24 — — EP disclosed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 — — WO disclosed
Send feedback