SCHEMBL11477255

SCHEMBL11477255

CN1CCC(C(=O)O)(c2ccccc2Sc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
PTPN11 Q06124 4/20 0.43
HDAC4 P56524 1/20 0.40
OPRM1 P35372 2/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2C P28335 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL11248404 0.80 SMN1; SMN2 (0.43) KDM4EMAPTLMNAOPRM1SLC22A1
SCHEMBL11500046 0.79 KDM4E (0.43) KDM4EMAPTNPSR1LMNAHDAC4
SCHEMBL11258115 0.77 RHEB (0.44) KDM4EMAPTNPSR1LMNAOPRM1
SCHEMBL11483187 0.74 SMN1; SMN2 (0.46) KDM4EMAPTLMNAOPRM1SLC22A1
SCHEMBL4555610 0.73 HDAC4 (0.62) LMNAHDAC4ALDH1A1GAA
Hydrochloric Acid SCHEMBL5729723 0.72 OPRM1 (0.48) MAPTHDAC4OPRM1SLC22A1SLC6A4
Oxalic Acid SCHEMBL11487121 0.72 KDM4E (0.50) KDM4EMAPTLMNAOPRM1SLC22A1
SCHEMBL19469572 0.72 HDAC4 (0.65) LMNAHDAC4KMT2AGAATDP1
SCHEMBL11482078 0.71 SMN1; SMN2 (0.44) KDM4EMAPTLMNAOPRM1SLC22A1
SCHEMBL11477977 0.71 SMN1; SMN2 (0.46) KDM4EMAPTLMNAOPRM1SLC22A1

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-4198419-A Phenylthiophenylpiperidines AMERICAN HOECHST CORPORATION (US) 1980-04-15 US disclosed