SCHEMBL30206500

SCHEMBL30206500

CN(Cc1cnc[nH]1)c1cccc(NC(=O)c2ccccc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.52
▸ F2R P25116 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ BCHE P06276 1/20 0.43

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
SCHEMBL30206467 0.82 TAAR1 (0.54) TAAR1MEN1KMT2AMAPT
SCHEMBL30206519 0.80 TAAR1 (0.52) TAAR1RAB9A
SCHEMBL30206488 0.79 TAAR1 (0.51) TAAR1
SCHEMBL30206496 0.78 TAAR1 (0.49) TAAR1RAB9A
SCHEMBL631422 0.74 TAAR1 (0.71) TAAR1
SCHEMBL30206397 0.74 NPC1 (0.42) F2RNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL631594 0.71 TAAR1 (1.00) TAAR1
SCHEMBL6984088 0.71 RAB9A (0.51) TAAR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30206376 0.71 FNTA (0.44) TAAR1
SCHEMBL8217310 0.70 TAAR1 (0.64) TAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392412-A1 ABAD INHIBITOR COMPOUNDS University Court of The University of St Andrews (GB) 2024-07-03 — — EP disclosed
WO-2023026060-A1 ABAD INHIBITOR COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2023-03-02 — — WO disclosed
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