SCHEMBL27427650

SCHEMBL27427650

C=C1NNC=Cc2cc(N3CCNCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.44
HTR3E A5X5Y0 6/20 0.43
HTR3B O95264 6/20 0.43
HTR3A P46098 6/20 0.43
HTR3D Q70Z44 6/20 0.43
HTR3C Q8WXA8 6/20 0.43
SIGMAR1 Q99720 6/20 0.43
HTR5A P47898 1/20 0.43
HTR1A P08908 3/20 0.40
HTR7 P34969 2/20 0.40
HTR2C P28335 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 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
SCHEMBL5570604 0.67 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17276864 0.65 ADRB1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30183146 0.64 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21983041 0.64 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17276711 0.63 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1248486 0.63 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL31491090 0.63 ADRB1 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14983927 0.63 HTR3E (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7863587 0.63 HTR3E (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5547943 0.62 ADRB1 (0.63) 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-2024112119-A1 DEGRADER FOR DECOMPOSING CMET PROTEIN, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 이노큐어테라퓨틱스 2024-05-30 WO disclosed