SCHEMBL5524464

SCHEMBL5524464

COc1ccc([C@H](C)N2CCN(c3ccc(F)c(C(F)(F)F)c3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 5/20 0.44
ACACB O00763 2/20 0.43
UTS2R Q9UKP6 3/20 0.43
TSHR P16473 1/20 0.42
OGA O60502 1/20 0.41

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
SCHEMBL4710443 1.00 MAPT (0.47) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL4709595 1.00 MAPT (0.47) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL4708524 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL5849758 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL14453013 0.88 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL4712906 0.87 HIF1A (0.49) MAPTSMN1; SMN2HIF1AUTS2RTSHR
SCHEMBL4709503 0.87 HIF1A (0.49) MAPTSMN1; SMN2HIF1AUTS2RTSHR
SCHEMBL4708914 0.84 MAPT (0.40) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL4708912 0.84 MAPT (0.40) MAPTSMN1; SMN2HIF1AACACBUTS2R
SCHEMBL4712115 0.82 OGA (0.48) MAPTSMN1; SMN2OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed
US-7241765-B2 Melanin concentrating hormone receptor ligands: substituted 1-benzyl-4-aryl piperazine analogues NEUROGEN CORPORATION (US) 2007-07-10 US disclosed