SCHEMBL24188508

SCHEMBL24188508

CC(C)N1CC(Oc2ccc(F)cc2Cl)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.51
OXTR P30559 4/20 0.47
AVPR1A P37288 3/20 0.47
TACR1 P25103 1/20 0.41
AVPR2 P30518 1/20 0.41
OPRK1 P41145 1/20 0.41
GHSR Q92847 1/20 0.41
PDE9A O76083 1/20 0.41
RBP4 P02753 1/20 0.39

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
SCHEMBL20147415 0.85 SLC6A4 (0.53) SLC6A4PDE9A
SCHEMBL25807458 0.81 SLC6A4 (0.47) SLC6A4OXTRAVPR1A
SCHEMBL4129984 0.81 SLC6A4 (0.46) SLC6A4OXTRAVPR1ATACR1AVPR2
SCHEMBL12374723 0.77 SLC6A4 (0.56) SLC6A4
SCHEMBL9450771 0.75 OXTR (0.54) OXTRAVPR1ARBP4
SCHEMBL20070185 0.75 HSD11B1 (0.48) SLC6A4
SCHEMBL2282399 0.75 SLC6A4 (0.78) SLC6A4
SCHEMBL10057698 0.74 HRH3 (0.45) SLC6A4PDE9A
SCHEMBL27478491 0.74 CSNK2A1 (0.59)
SCHEMBL9450773 0.74 OXTR (0.53) OXTRAVPR1ARBP4

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
WO-2022010537-A1 GAS41 INHIBITORS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-13 WO disclosed