SCHEMBL8170356

SCHEMBL8170356

c1ccc(CN2CC[C@H]3Cc4ccccc4C[C@H]32)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.65
SIGMAR1 Q99720 9/20 0.59
TMEM97 Q5BJF2 1/20 0.50

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
SCHEMBL8170360 1.00 HTR1A (0.65) HTR1ASIGMAR1TMEM97
SCHEMBL3176956 0.81 HTR1A (0.51) HTR1ASIGMAR1
SCHEMBL8301747 0.81 HTR1A (0.51) HTR1ASIGMAR1
SCHEMBL2885978 0.80 SIGMAR1 (0.54) HTR1ASIGMAR1
SCHEMBL5169033 0.80 HTR1A (0.91) HTR1A
SCHEMBL5171063 0.80 HTR1A (0.91) HTR1A
SCHEMBL5169037 0.80 HTR1A (0.91) HTR1A
SCHEMBL5169029 0.80 HTR1A (0.91) HTR1A
SCHEMBL2095757 0.75 HTR1A (0.47) HTR1ASIGMAR1
SCHEMBL22605206 0.75 HTR1A (0.47) HTR1ASIGMAR1

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-6080752-A FOR TREATING CONDITION WHICH REQUIRES ANTAGONISM OF A DOPAMINE RECEPTOR SUCH AS PSYCHTIC CONDITION SMITHKLINE BEECHAM PLC (GB) 2000-06-27 US disclosed