SCHEMBL31639764

SCHEMBL31639764

C[C@@H]1CNC[C@@H](C)N1CC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
GRIN2B Q13224 11/20 0.53
HTT P42858 1/20 0.53
CYP2D6 P10635 4/20 0.52
CYP2C9 P11712 4/20 0.52
CYP3A4 P08684 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
FAAH O00519 1/20 0.46

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
SCHEMBL23860581 1.00 HTR2C (0.62) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26927172 1.00 HTR2C (0.62) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL26926574 0.86 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL23860615 0.86 SMN1; SMN2 (0.57) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31433592 0.86 HTR2C (0.56) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL18921647 0.82 SMN1; SMN2 (0.64) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31640211 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30732187 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL26972779 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL29132081 0.81 SMN1; SMN2 (0.56) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed