SCHEMBL22357101

SCHEMBL22357101

CC1C=CC2=C(C1)C(C)(C)c1ccc(N)cc12

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL19622862 0.80 KDM4E (0.35) HTR1ADRD2HTR2A
SCHEMBL19257004 0.79 PGR (0.30) —
SCHEMBL26317637 0.77 — —
SCHEMBL17528668 0.70 PDK2 (0.42) HTR2A
SCHEMBL22106233 0.67 PDE7A (0.32) —
SCHEMBL22415115 0.65 ALDH1A1 (0.33) HTR1ADRD2HTR2A
SCHEMBL16361148 0.65 KDM4E (0.30) —
SCHEMBL23546585 0.63 PDK2 (0.42) —
SCHEMBL21707264 0.63 — —
SCHEMBL24254782 0.62 PDK2 (0.37) HTR2A

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-3301097-B1 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) SAMSUNG DISPLAY CO LTD (KR) 2020-08-19 — — EP disclosed
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