SCHEMBL22926265

SCHEMBL22926265

Cc1nc2ccccc2n1-c1ccc(C(=O)N2CCN(C(O)C3(O)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.55
▸ KCNH2 Q12809 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MGLL Q99685 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL16151156 0.83 HRH3 (0.58) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL21555271 0.83 FASN (0.45) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL19888051 0.82 MEN1 (0.53) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL16150199 0.79 HRH3 (0.62) HRH3KCNH2ALDH1A1HPGDMEN1
SCHEMBL19888173 0.78 MGLL (0.40) MEN1KMT2AMGLLMAPK1
Hydrochloric Acid SCHEMBL16151108 0.78 HRH3 (0.61) HRH3KCNH2ALDH1A1HPGDMEN1
SCHEMBL16149777 0.76 HRH3 (0.57) HRH3KCNH2ALDH1A1HPGDMEN1
SCHEMBL4941766 0.76 HRH3 (0.61) HRH3KCNH2ALDH1A1HPGDMGLL
SCHEMBL19888123 0.75 HRH3 (0.56) HRH3KCNH2MEN1KMT2AMGLL
SCHEMBL22536662 0.74 FASN (0.63) ALDH1A1HPGDMEN1KMT2AMAPK1

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-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 — — EP disclosed
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