SCHEMBL31661183

SCHEMBL31661183

c1cc(N2CCNCC2)c2c(c1)C1(CCCNC1)CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.46
HTR2A P28223 3/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
HTR6 P50406 5/20 0.38
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
SIGMAR1 Q99720 3/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
NCF1 P14598 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR1D P28221 1/20 0.38

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
SCHEMBL31661207 0.72 ADRB1 (0.38) ADRB1HTR2AHTR2CHTR2BHTR6
SCHEMBL23305232 0.71 HTR2A (0.44) HTR2AHTR2CDRD2SIGMAR1CYP1A2
SCHEMBL31661187 0.70 ADRB1 (0.43) ADRB1HTR6DRD2DRD3
SCHEMBL5371717 0.67 ADRB1 (0.48) ADRB1HTR2AHTR2CHTR6DRD2
SCHEMBL31051790 0.66 ADRB1 (0.61) ADRB1HTR2AHTR6DRD2DRD3
SCHEMBL31052189 0.66 ADRB1 (0.61) ADRB1HTR2AHTR6DRD2DRD3
SCHEMBL5366528 0.66 ADRB1 (0.50) ADRB1HTR2AHTR2CHTR2BHTR6
SCHEMBL31052095 0.66 ADRB1 (0.61) ADRB1HTR2AHTR6DRD2DRD3
SCHEMBL31052001 0.66 ADRB1 (0.61) ADRB1HTR2AHTR2CHTR6DRD2
SCHEMBL31051727 0.66 ADRB1 (0.61) ADRB1HTR2AHTR6DRD2DRD3

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-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed