SCHEMBL11577417

SCHEMBL11577417

c1ccc(NC2CCN(CCOc3ccccc3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.58
HTR7 P34969 10/20 0.58
DRD2 P14416 3/20 0.58
HTR6 P50406 3/20 0.58
KDM1A O60341 1/20 0.55
LTA4H P09960 4/20 0.55
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KCNA5 P22460 2/20 0.52
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51

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
SCHEMBL11575616 0.83 HTR7 (0.54) HTR1AHTR7DRD2HTR6CARM1
SCHEMBL14204163 0.81 LTA4H (0.68) HTR1AHTR7DRD2HTR6KDM1A
SCHEMBL7725283 0.80 CA12 (0.62) SIGMAR1CARM1PRMT6
SCHEMBL7546010 0.80 CARM1 (0.56) KDM1ASIGMAR1CARM1PRMT6
SCHEMBL4729810 0.78 LTA4H (0.79) HTR1AHTR7DRD2HTR6KDM1A
SCHEMBL4729812 0.78 LTA4H (0.79) HTR1AHTR7DRD2HTR6KDM1A
SCHEMBL17085450 0.78 LTA4H (0.62) HTR1AHTR7DRD2HTR6KDM1A
SCHEMBL6398998 0.77 LTA4H (0.80) HTR1AHTR7LTA4HTMEM97SIGMAR1
SCHEMBL6278104 0.77 LTA4H (0.80) HTR1AHTR7LTA4HTMEM97SIGMAR1
SCHEMBL5544791 0.77 LTA4H (0.80) HTR1AHTR7LTA4HTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29828-E ANALGESICS, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1978-11-07 US disclosed