SCHEMBL30104253

SCHEMBL30104253

Nc1nccc2ccc(N3CCNCC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR5A P47898 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR2C P28335 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
TGFBR1 P36897 2/20 0.45
ACVR1 Q04771 2/20 0.45
IP6K1 Q92551 1/20 0.44
ADRB1 P08588 2/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
C1S P09871 1/20 0.44
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44

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
SCHEMBL30014605 0.78 C1S (0.54) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL30775562 0.77 IP6K1 (0.76) HTR2CTGFBR1ACVR1IP6K1ADRB1
Hydrochloric Acid SCHEMBL30575860 0.75 IP6K1 (0.74) HTR2CTGFBR1ACVR1IP6K1ADRB1
SCHEMBL6643085 0.74 ADRB2 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15445062 0.72 ADRB2 (0.62) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL28291142 0.71 HTR3E (0.63) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL6017418 0.71 HTR3E (0.63) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL2419422 0.71 HTR3E (0.63) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL23999692 0.70 NCF1 (0.48) TGFBR1ACVR1IP6K1ADRB1PIM1
SCHEMBL7256928 0.70 FGFR1 (0.53) HTR3EHTR3BHTR3AHTR5AHTR3D

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
EP-4110333-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2023-01-04 EP disclosed