SCHEMBL9238002

SCHEMBL9238002

CCC(C)C(NCCc1c[nH]cn1)C(=O)NCc1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ P2RX7 Q99572 11/20 0.37

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
SCHEMBL9237438 0.80 MASP2 (0.40) —
SCHEMBL9233436 0.79 ANPEP (0.40) ALDH1A1P2RX7
SCHEMBL9240565 0.78 P2RX7 (0.42) ALDH1A1HTTP2RX7
SCHEMBL9240303 0.77 GAA (0.40) ALDH1A1P2RX7
SCHEMBL9234753 0.76 P2RX7 (0.43) P2RX7
SCHEMBL9240422 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9238649 0.75 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2638673 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL2638674 0.73 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9006114 0.73 ALDH1A1 (0.44) ALDH1A1

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-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 — — EP claimed
EP-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 — — EP disclosed
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