SCHEMBL11602883

SCHEMBL11602883

CC(=O)CCN1CCC(=C2c3ccccc3CCc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 3/20 0.50
▸ SETD7 Q8WTS6 1/20 0.47
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 2/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ DRD1 P21728 4/20 0.40
▸ DRD3 P35462 4/20 0.40
▸ HRH1 P35367 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40

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
SCHEMBL11601086 0.88 SETD7 (0.49) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11600894 0.88 PTAFR (0.63) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11600653 0.87 PTAFR (0.52) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11602839 0.83 PTAFR (0.50) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11601639 0.83 PTAFR (0.50) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11601694 0.81 PTAFR (0.52) PTAFRSETD7KCNH2FNTAFNTB
SCHEMBL11599673 0.81 PTAFR (0.60) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11601745 0.78 MAPK1 (0.69) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL11600359 0.78 MAPK1 (0.49) PTAFRSETD7MAPK1MEN1MAPT
SCHEMBL9718792 0.76 SETD7 (0.58) PTAFRSETD7MAPK1MEN1MAPT

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-4072756-A Tricyclo piperidino ketones and soporific compositions thereof SANDOZ LTD. (CH) 1978-02-07 — — US disclosed
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