SCHEMBL31236286

SCHEMBL31236286

Cc1cc(Cl)cc(CNCCc2c[nH]c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 2/20 0.61
▸ MC3R P41968 2/20 0.61
▸ MC1R Q01726 2/20 0.61
▸ MAPT P10636 3/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 4/20 0.58
▸ HTR6 P50406 2/20 0.58
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ HTR2A P28223 3/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52

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
Hydrochloric Acid SCHEMBL31236304 0.99 MC5R (0.60) MC5RMC3RMC1RMAPTMAPK1
Hydrochloric Acid SCHEMBL31236301 0.88 ALDH1A1 (0.60) MC5RMC3RMC1RMAPTMAPK1
Hydrochloric Acid SCHEMBL31236299 0.85 MC5R (0.60) MC5RMC3RMC1RMAPTMAPK1
SCHEMBL14426460 0.84 KMT2A (0.72) MC5RMC3RMC1RMAPTKMT2A
SCHEMBL17117861 0.82 MC5R (0.71) MC5RMC3RMC1RMAPTMAPK1
SCHEMBL18088393 0.82 MC5R (0.71) MC5RMC3RMC1RMAPTKMT2A
SCHEMBL830201 0.79 MC5R (0.79) MC5RMC3RMC1RKMT2AHTR6
SCHEMBL31236292 0.79 NR3C1 (0.55) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL6847736 0.79 MC5R (0.71) MC5RMC3RMC1RMAPTMAPK1
SCHEMBL31236284 0.79 HDAC1 (0.56) MAPTKMT2AALDH1A1MEN1KDM4E

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-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 — — WO disclosed
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