SCHEMBL31706383

SCHEMBL31706383

O=C(O)c1cncc(C2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ SCD O00767 2/20 0.39
▸ SCD5 Q86SK9 2/20 0.39
▸ HCAR2 Q8TDS4 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DDO Q99489 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SLC9A1 P19634 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL31706109 0.89 NAMPT (0.40) HTR2BALDH1A1SCDSCD5HCAR2
Lithium Ion SCHEMBL31706216 0.86 HTR2B (0.40) HTR2BALDH1A1LMNAPOLBCYP11B2
Lithium Ion SCHEMBL31706665 0.86 HTR2B (0.40) HTR2BALDH1A1LMNAPOLBCYP11B2
SCHEMBL31706262 0.84 ATM (0.46) HTR2BALDH1A1LMNAMEN1KMT2A
SCHEMBL17067759 0.83 HCAR2 (0.50) ALDH1A1HCAR2LMNAPOLBKDM4E
SCHEMBL29810615 0.83 HCAR2 (0.50) ALDH1A1HCAR2LMNAPOLBKDM4E
SCHEMBL30281197 0.80 KMO (0.51) ALDH1A1HCAR2LMNAPOLBKDM4E
SCHEMBL31706677 0.77 TDP1 (0.52) ALDH1A1POLBMEN1KMT2ACYP2C9
Lithium Ion SCHEMBL31705497 0.77 NAMPT (0.39) HTR2BSCDSCD5LMNACYP11B2
Lithium Ion SCHEMBL31706119 0.77 NAMPT (0.39) HTR2BSCDSCD5LMNACYP11B2

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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