SCHEMBL31706124

SCHEMBL31706124

COC(=O)c1cccc(C2CCNCC2)c1.COC(=O)c1cccc(C2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.57
▸ TLR2 O60603 4/20 0.49
▸ KMO O15229 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.46
▸ TLR8 Q9NR97 1/20 0.46
▸ SLC18A3 Q16572 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ QDPR P09417 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43

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
SCHEMBL233530 1.00 HTR2C (0.57) HTR2CTLR2KMOTLR9TLR8
SCHEMBL30488777 1.00 HTR2C (0.57) HTR2CTLR2KMOTLR9TLR8
Hydrochloric Acid SCHEMBL975329 0.99 HTR2C (0.58) HTR2CTLR2KMOTLR9TLR8
SCHEMBL347728 0.92 HTR2C (0.48) HTR2C
Hydrochloric Acid SCHEMBL30224686 0.90 HTR2C (0.49) HTR2C
Hydrochloric Acid SCHEMBL28947630 0.90 HTR2C (0.49) HTR2C
SCHEMBL18617749 0.90 HTR2C (0.60) HTR2CTLR2TLR9TLR8
SCHEMBL3933287 0.89 KMO (0.54) KMOLOXL2TSHRCYP4F2CYP4A11
SCHEMBL8414748 0.86 KMO (0.64) KMOLOXL2TSHRCYP4F2CYP4A11
SCHEMBL26154174 0.86 KMO (0.59) KMOLOXL2TSHRCYP4F2CYP4A11

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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