SCHEMBL6877938

SCHEMBL6877938

CCCC(C)COc1ccc(CNC(=O)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 12/20 0.62
▸ NPC1 O15118 1/20 0.61
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RAB9A P51151 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL18772234 0.90 NPC1 (0.64) GPR88NPC1LMNAALDH1A1MEN1
SCHEMBL8609579 0.84 NPC1 (0.65) NPC1LMNAALDH1A1MEN1MAPT
SCHEMBL18772259 0.82 GPR88 (0.80) GPR88
SCHEMBL18772252 0.82 GPR88 (0.80) GPR88
SCHEMBL3836213 0.82 LMNA (0.71) NPC1POLBLMNAALDH1A1KMT2A
SCHEMBL8072213 0.81 PLA2G4B (0.51) GPR88
SCHEMBL6880190 0.81 GPR88 (0.73) GPR88
SCHEMBL26216471 0.80 GPR88 (0.72) GPR88
SCHEMBL18772260 0.80 GPR88 (0.74) GPR88
SCHEMBL18772240 0.79 GPR88 (0.61) GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146816-A1 4-SUBSTITUTED-PHENYL ACETAMIDES AND ARYLUREAS AS AGONISTS FOR THE ORPHAN RECEPTOR GPR88 RESEARCH TRIANGLE INSTITUTE (US) 2023-08-03 — — WO disclosed
EP-2486011-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
WO-2011044225-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 — — WO disclosed
Send feedback