SCHEMBL9687914

SCHEMBL9687914

CN(C)CC1CCc2onc(-c3ccccc3F)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
METAP1 P53582 3/20 0.40
GPBAR1 Q8TDU6 1/20 0.35
HSP90AA1 P07900 2/20 0.34
MITF O75030 1/20 0.34
PTGS1 P23219 1/20 0.34
RORC P51449 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
POLB P06746 1/20 0.34
HTR1A P08908 1/20 0.33

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
Hydrochloric Acid SCHEMBL9024965 0.99 HTR7 (0.41) HTR7METAP1GPBAR1HSP90AA1MITF
SCHEMBL9445145 0.84 PTGS2 (0.39) HTR7METAP1HSP90AA1MITFPTGS1
SCHEMBL9024867 0.83 HTR7 (0.43) HTR7GPBAR1PTGS1RORCNPC1
Hydrochloric Acid SCHEMBL9445152 0.83 HSP90AA1 (0.39) HTR7METAP1HSP90AA1MITFPTGS1
SCHEMBL9023952 0.81 HTR7 (0.41) HTR7GPBAR1PTGS1RORCNPC1
SCHEMBL9689733 0.78 CYP3A4 (0.52) HTR7NPC1RAB9A
SCHEMBL9445144 0.77 HTR7 (0.41) HTR7GPBAR1PTGS1RORCNPC1
SCHEMBL9445175 0.74 HTR2C (0.51) HTR7HTR1A
Fumaric Acid SCHEMBL9445154 0.72 CYP3A4 (0.46) HTR7NPC1RAB9A
Maleic Acid SCHEMBL9445151 0.72 CYP3A4 (0.46) HTR7NPC1RAB9A

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-5114936-A Antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-19 US claimed