SCHEMBL31424070

SCHEMBL31424070

COc1cccc(C(C)NCCCc2ccc(F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.62
SIGMAR1 Q99720 2/20 0.61
HTR1A P08908 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
SLC6A2 P23975 1/20 0.61
HRH2 P25021 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HRH1 P35367 1/20 0.61
OPRM1 P35372 1/20 0.61
DRD3 P35462 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
HTR5A P47898 1/20 0.61
HTR6 P50406 1/20 0.61
TMEM97 Q5BJF2 1/20 0.61
GPR65 Q8IYL9 1/20 0.61
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57

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
SCHEMBL7963841 1.00 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL8175405 1.00 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL15131017 1.00 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL7358340 0.90 CASR (0.62) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL7964687 0.89 CASR (0.61) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL31424069 0.89 CASR (0.61) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL15131015 0.89 CASR (0.61) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL8163237 0.89 CASR (0.61) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL15131194 0.88 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C
SCHEMBL6081573 0.88 CASR (0.71) CASRSIGMAR1HTR1AADRA2BADRA2C

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-2025054169-A1 COMPOSITIONS AND METHODS FOR TOPICAL TREATMENT WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2025-03-13 WO disclosed