SCHEMBL30863471

SCHEMBL30863471

CN(C)CCOc1ccc(C(=O)Nc2ccc(F)c3cnccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 3/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.46
▸ CACNA1B Q00975 2/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42

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
SCHEMBL27195732 1.00 CACNA1H (0.48) CACNA1HHRH3CACNA1BHDAC1CHRNB2
SCHEMBL27195800 0.96 CACNA1H (0.48) CACNA1HHRH3CACNA1BHDAC1CHRNB2
SCHEMBL30863474 0.87 ABL1 (0.51) CACNA1HHRH3CACNA1BHDAC1CHRNB2
SCHEMBL27195981 0.87 ABL1 (0.51) CACNA1HHRH3CACNA1BHDAC1CHRNB2
Hydrochloric Acid SCHEMBL30863454 0.84 CACNA1H (0.43) CACNA1HHRH3CACNA1BHDAC1CHRNB2
SCHEMBL27195708 0.82 CACNA1H (0.51) CACNA1HHRH3CACNA1BHDAC1CHRNB2
SCHEMBL27195733 0.82 TRPV1 (0.59) CACNA1HCACNA1BHDAC1LMNASMN1; SMN2
SCHEMBL27195689 0.82 CACNA1H (0.51) CACNA1HHRH3CACNA1BHDAC1SMN1; SMN2
SCHEMBL27195723 0.82 CACNA1H (0.51) CACNA1HHRH3CACNA1BHDAC1SMN1; SMN2
SCHEMBL27195729 0.81 CACNA1H (0.52) CACNA1HHRH3CACNA1BHDAC1CHRNB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4581017-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS Biodol Therapeutics (FR) 2025-07-09 — — EP disclosed
WO-2024079072-A1 NEW N-HETEROARYLBENZAMIDES DERIVATIVES AS FLT3 INHIBITORS BIODOL THERAPEUTICS (FR) 2024-04-18 — — WO disclosed
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