SCHEMBL31117841

SCHEMBL31117841

O=C(CCl)NCC1CCN(C(=O)[C@H](Nc2ccc(Cl)cc2)C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.47
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CCR2 P41597 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ CNR1 P21554 4/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ ACKR3 P25106 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31117778 1.00 CCR1 (0.47) CCR1TP53MAPTCCR2NPC1
SCHEMBL25443247 0.84 CCR1 (0.51) CCR1TP53MAPTNPC1RAB9A
SCHEMBL31117972 0.80 CCR2 (0.48) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL31117894 0.80 CCR1 (0.48) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL31117882 0.80 CCR1 (0.48) CCR1CCR2NPC1RAB9AALOX5
SCHEMBL25442292 0.79 CCR1 (0.53) CCR1TP53MAPTNPC1RAB9A
SCHEMBL25442294 0.79 CCR1 (0.53) CCR1TP53MAPTNPC1RAB9A
SCHEMBL31117998 0.75 NPC1 (0.45) TP53MAPTCCR2NPC1RAB9A
SCHEMBL31117808 0.74 TP53 (0.43) TP53MAPTCCR2NPC1RAB9A
SCHEMBL31117936 0.73 NPC1 (0.43) TP53MAPTCCR2NPC1RAB9A

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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