SCHEMBL7843427

SCHEMBL7843427

O=C(CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)Nc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC6A4 P31645 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL8296251 0.86 OPRM1 (0.53) MEN1HTTKMT2ASLC6A4
SCHEMBL8297198 0.84 HSD11B1 (0.53) MEN1HTTKMT2A
SCHEMBL7843683 0.83 HTR1D (0.55)
SCHEMBL7848593 0.83 SLC6A4 (0.49) SLC6A4MAPK1
SCHEMBL8296229 0.81 DRD2 (0.54) MEN1HTTKMT2ASLC6A4
SCHEMBL8299590 0.78 DRD2 (0.51) MEN1HTTKMT2ASLC6A4
SCHEMBL7845970 0.76 KMT2A (0.58) MEN1HTTKMT2A
SCHEMBL5727535 0.74 SLC6A4 (0.63) SLC6A4MAPK1
SCHEMBL8298661 0.73 MEN1 (0.50) MEN1HTTKMT2ASLC6A4
SCHEMBL13499597 0.73 SLC6A4 (0.69) SLC6A4MAPK1

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-1076658-A1 SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-21 EP claimed
WO-1999055697-A1 SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-04 WO claimed