SCHEMBL30801872

SCHEMBL30801872

O=C1[C@H]2CNCCN2CCN1c1cc(C(F)(F)F)ccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.53
CYP17A1 P05093 1/20 0.45
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 2/20 0.37

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
SCHEMBL30801761 0.80 COMT (0.38) HTR2AHTR2CHTR2B
SCHEMBL30801864 0.79 ALDH1A1 (0.51) CYP17A1HTR2AHTR2CHTR2B
SCHEMBL30801853 0.79 ALDH1A1 (0.41) CYP17A1HTR2AHTR2CHTR2B
SCHEMBL23574153 0.78 USP30 (0.45) ADRB1CYP17A1TRPV1
SCHEMBL23574150 0.78 USP30 (0.45) ADRB1CYP17A1TRPV1
SCHEMBL30801886 0.78 USP30 (0.45) ADRB1CYP17A1TRPV1
SCHEMBL30801785 0.77 GRIN1 (0.38) HTR2C
SCHEMBL30801796 0.76 USP30 (0.36) HTR2CHTR2B
SCHEMBL3081103 0.74 ADRB1 (0.62) ADRB1CYP17A1HTR2CADRB2NCF1
SCHEMBL21858471 0.73 ADRB1 (0.60) ADRB1CYP17A1ADRB2NCF1MAPK1

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-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed