SCHEMBL27363476

SCHEMBL27363476

CN1CCC2(CC1)CCN(c1ccc(I)cn1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.41
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HSD17B10 Q99714 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 2/20 0.40
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
SCHEMBL4517601 0.85 HTR3A (0.51) TNKSHTR3AHTR3EHTR3BHTR3D
SCHEMBL27364325 0.83 GRIN2D (0.50) TNKSHTR3AHSD17B10ALDH1A1CYP2D6
SCHEMBL4527814 0.79 HTR3A (0.46) TNKSHTR3AHTR3EHTR3BHTR3D
SCHEMBL18436686 0.77 OGA (0.46) HSD17B10ALDH1A1CYP2D6TSHRHPGD
SCHEMBL1432869 0.76 MAPT (0.51) ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL22932059 0.75 CYP11B1 (0.53) HSD17B10ALDH1A1CYP2D6TSHRHPGD
SCHEMBL1432610 0.74 MAPT (0.53) HSD17B10ALDH1A1HPGDSMN1; SMN2CYP1A2
SCHEMBL14996516 0.74 HSD17B10 (0.69) HSD17B10ALDH1A1CYP2D6TSHRHPGD
SCHEMBL27366338 0.73 CYP3A4 (0.42) HSD17B10ALDH1A1CYP2D6TSHRHPGD
SCHEMBL31382372 0.73 UBE2T (0.37) HPGDSMN1; SMN2

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed