SCHEMBL29106948

SCHEMBL29106948

N[C@H]1CCN(c2c(C=O)cnc(Cl)c2-c2cc(F)cc(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 18/20 0.46
▸ SSTR5 P35346 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SSTR4 P31391 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ SSTR3 P32745 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
SCHEMBL28777696 0.83 SSTR2 (0.35) SSTR2SSTR4KCNH2
SCHEMBL28777695 0.83 SSTR2 (0.35) SSTR2SSTR4KCNH2
SCHEMBL22976844 0.82 SMPD3 (0.35) SSTR2
SCHEMBL22976842 0.82 SMPD3 (0.35) SSTR2
SCHEMBL29653510 0.77 JAK3 (0.45) —
SCHEMBL28777549 0.71 PTPN11 (0.35) —
SCHEMBL28777551 0.71 PTPN11 (0.35) —
SCHEMBL22976258 0.70 PTPN11 (0.33) —
SCHEMBL22976254 0.70 PTPN11 (0.33) —
SCHEMBL31243202 0.70 SSTR2 (0.39) SSTR2SSTR4KCNH2CYP2C9CYP2C19

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
CN-117043149-A Crystalline forms of somatostatin modulators 克林提克斯医药股份有限公司 2023-11-10 — — CN disclosed
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