SCHEMBL8487752

SCHEMBL8487752

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1ccccc1)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.48
▸ NMBR P28336 5/20 0.46
▸ FNTA P49354 1/20 0.46
▸ PGGT1B P53609 1/20 0.46
▸ BRS3 P32247 6/20 0.44
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL8487755 1.00 HRH4 (0.48) HRH4NMBRFNTAPGGT1BBRS3
SCHEMBL8485136 0.93 FNTA (0.47) HRH4NMBRFNTAPGGT1BCTSS
SCHEMBL8485139 0.93 FNTA (0.47) HRH4NMBRFNTAPGGT1BCTSS
SCHEMBL8485028 0.90 KMT2A (0.53) FNTAPGGT1BCA2
SCHEMBL8485023 0.90 KMT2A (0.53) FNTAPGGT1BCA2
SCHEMBL8486463 0.90 HRH4 (0.44) HRH4FNTAPGGT1BCTSSCTSK
SCHEMBL8486470 0.90 HRH4 (0.44) HRH4FNTAPGGT1BCTSSCTSK
SCHEMBL10872017 0.89 HRH4 (0.50) HRH4CYP3A4
SCHEMBL8481703 0.89 REN (0.43) HRH4FNTAPGGT1BCTSSCTSK
SCHEMBL8481701 0.89 REN (0.43) HRH4FNTAPGGT1BCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 — — US claimed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 — — WO claimed
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 — — US disclosed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 — — WO disclosed
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