SCHEMBL23714344

SCHEMBL23714344

C1=CCC(Cc2ccccc2)N=C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
NOS3 P29474 1/20 0.40
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
GBA1 P04062 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3751940 0.67
SCHEMBL9166499 0.67
SCHEMBL28654226 0.67 NOS3 (0.47) TAAR1NOS1NOS2NOS3NPC1
SCHEMBL2049798 0.67 TAAR1 (0.36) TAAR1NOS1NOS2NOS3KCNH2
SCHEMBL1830037 0.66 NOS3 (0.50) TAAR1NOS1NOS2NOS3NPC1
SCHEMBL10551350 0.66 TAAR1 (0.51) TAAR1NOS1NOS2NOS3
SCHEMBL10556453 0.65
SCHEMBL27704682 0.65 SIGMAR1 (0.48) NOS1NOS2GBA1
SCHEMBL31621835 0.65 SIGMAR1 (0.48) NOS1NOS2GBA1
SCHEMBL10475464 0.65 CALM1 (0.39) TAAR1NOS1NOS2GBA1

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-3859809-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS Samsung Display Co., Ltd. (KR) 2021-08-04 EP disclosed