SCHEMBL31661207

SCHEMBL31661207

c1cc2c(cc1N1CCNCC1)OCC21CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.38
HTR3E A5X5Y0 4/20 0.38
HTR3B O95264 4/20 0.38
HTR3A P46098 4/20 0.38
HTR3D Q70Z44 4/20 0.38
HTR3C Q8WXA8 4/20 0.38
SIGMAR1 Q99720 4/20 0.38
HTR5A P47898 1/20 0.38
PDK2 Q15119 1/20 0.37
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 4/20 0.35
HTR1A P08908 3/20 0.35
TP53 P04637 3/20 0.35
CYP2D6 P10635 3/20 0.35
HTR7 P34969 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL320385 0.78 TMEM97 (0.36) SIGMAR1CYP3A4THRBHTR2AHTR2B
SCHEMBL31661205 0.75 QDPR (0.38) SIGMAR1HTR2CSLC6A4HTR6
SCHEMBL23305232 0.74 HTR2A (0.44) SIGMAR1CYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL31661183 0.72 ADRB1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31661169 0.70 MAPKAPK2 (0.38) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL18537231 0.69 HTR2C (0.40) HTTHTR2CMAPT
SCHEMBL320709 0.69 TMEM97 (0.38) SIGMAR1CYP3A4THRBHTR2BMAPT
SCHEMBL5235512 0.67 TGFBR1 (0.51) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21138067 0.67 IDO1 (0.47) CYP3A4CYP2C9SLC6A4
SCHEMBL8259247 0.66 TGFBR1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D

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