SCHEMBL31117951

SCHEMBL31117951

O=C(CCl)NCC1CCN(C(=O)C2(Nc3ccc(Cl)cc3)CCC(F)(F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CCR2 P41597 5/20 0.39
▸ FAAH O00519 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL31117825 0.95 NPC1 (0.44) NPC1RAB9AALOX5TP53MAPT
SCHEMBL31117936 0.91 NPC1 (0.43) NPC1RAB9AALOX5TP53MAPT
SCHEMBL31117808 0.90 TP53 (0.43) NPC1RAB9AALOX5TP53MAPT
SCHEMBL31117995 0.88 NPC1 (0.40) NPC1RAB9AALOX5TP53MAPT
Hydrochloric Acid SCHEMBL31117945 0.87 NPC1 (0.40) NPC1RAB9AALOX5TP53MAPT
Hydrochloric Acid SCHEMBL31117980 0.87 ALOX5 (0.42) NPC1RAB9AALOX5TP53MAPT
SCHEMBL31117927 0.82 NPC1 (0.39) NPC1RAB9AALOX5TP53MAPT
SCHEMBL31117888 0.82 NPC1 (0.39) NPC1RAB9AALOX5TP53MAPT
SCHEMBL31118001 0.81 BRD4 (0.44) CCR2FAAHBCHEACHEMEN1
SCHEMBL31117818 0.81 BRD4 (0.44) CCR2FAAHMEN1KMT2ATSHR

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-4680343-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-01-21 — — EP disclosed
WO-2024192415-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-19 — — WO disclosed
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