SCHEMBL31649442

SCHEMBL31649442

CCc1ccc(CN[C@H](CN(C)Cc2ccccc2)C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TACR1 P25103 2/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ FKBP1A P62942 1/20 0.39
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 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
SCHEMBL31649309 0.90 ACHE (0.43) PRSS1TACR1MEN1KMT2AHRH3
SCHEMBL31649407 0.89 ALDH1A1 (0.41) PRSS1NPC1RAB9ASMN1; SMN2TACR1
SCHEMBL31649336 0.86 TACR1 (0.47) NPC1RAB9ASMN1; SMN2TACR1MEN1
SCHEMBL31649444 0.83 BCHE (0.41) NPC1RAB9ASMN1; SMN2TACR1HSD11B1
SCHEMBL31649221 0.81 HSD11B1 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31649427 0.81 ALDH1A1 (0.46) NPC1TACR1MEN1KMT2ALMNA
SCHEMBL31649113 0.80 TACR1 (0.39) TACR1MEN1KMT2APRMT5WDR77
SCHEMBL31649413 0.79 DPP4 (0.49) PRSS1NPC1RAB9ASMN1; SMN2TACR1
SCHEMBL31649269 0.79 DPP4 (0.49) PRSS1NPC1RAB9ASMN1; SMN2TACR1
SCHEMBL31649391 0.79 ACE (0.50) PRSS1KMT2AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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