SCHEMBL24428495

SCHEMBL24428495

CC[C@H](C)C(C)CCNC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
EPHX1 P07099 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL23384551 1.00 HTR2A (0.34) HTR2AHRH1EPHX1KMT2A
SCHEMBL16297575 1.00 HTR2A (0.34) HTR2AHRH1EPHX1KMT2A
SCHEMBL23352282 0.83 EPHX1 (0.38) HTR2AHRH1EPHX1
SCHEMBL22305831 0.80 HTR2A (0.30) HTR2AHRH1
SCHEMBL19249499 0.80 EPHX1 (0.48) HTR2AHRH1EPHX1
SCHEMBL8692761 0.80 ALDH1A1 (0.30) KMT2A
SCHEMBL24435584 0.79 EPHX1 (0.46) HTR2AHRH1EPHX1KMT2A
SCHEMBL23428972 0.79 EPHX1 (0.46) HTR2AHRH1EPHX1KMT2A
SCHEMBL19912999 0.79 HTR2A (0.32) HTR2AHRH1
SCHEMBL6274215 0.78 HTR2A (0.34) HTR2AHRH1

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-3998323-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd. (JP) 2022-05-18 EP disclosed