SCHEMBL10149161

SCHEMBL10149161

Cc1c(F)cccc1-c1ccccc1CC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.49
LMNA P02545 2/20 0.49
PDE3A Q14432 1/20 0.49
PDE4D Q08499 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
CCKBR P32239 9/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL10149305 0.89 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL14007848 0.87 OPRK1 (0.47) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL10149301 0.87 OPRK1 (0.56) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL10149907 0.87 OPRK1 (0.60) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL10165779 0.86 OPRK1 (0.53) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL3233523 0.86 OPRK1 (0.52) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL608039 0.86 OPRK1 (0.56) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL14707955 0.86 OPRK1 (0.56) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL11964629 0.85 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL2264923 0.85 OPRK1 (0.57) OPRK1LMNAPDE3APDE4DCHRM2

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
EP-2422788-A2 Benzodiazepines and compositions and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-29 EP disclosed