SCHEMBL24677480

SCHEMBL24677480

O=CNCc1ccc(N2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.47
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
HTR6 P50406 4/20 0.43
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
USP2 O75604 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
SCHEMBL24248164 0.84 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3305094 0.83 ALDH1A1 (0.53) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL3304463 0.82 L3MBTL1 (0.54) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL23655342 0.82 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL1758061 0.81 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL24677400 0.81 CXCR4 (0.56) SIGMAR1ADH1BADH1CADH1AADH7
SCHEMBL23655331 0.81 MAPT (0.53) ADRB1ADH1BADH1CADH1AADH7
SCHEMBL23655787 0.81 L3MBTL1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL23655583 0.81 ADH1B (0.46) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL23655531 0.78 SMN1; SMN2 (0.49) ADH1BADH1CADH1AADH7ALDH1A1

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-2022178030-A1 TRPM8 AGONISTS AS COOLING AGENTS AND FOR THE TREATMENT OF DISEASE Concentric Analgesics, Inc. (US) 2022-08-25 WO disclosed