SCHEMBL30801866

SCHEMBL30801866

O=C1[C@H]2CNCCN2CCN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41

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
Hydrochloric Acid SCHEMBL3602648 0.88 SIGMAR1 (0.43) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL30801751 0.83 KCNH2 (0.38) POLBPKM
SCHEMBL30337144 0.78 SLC6A2 (0.44) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL8593861 0.78 SMN1; SMN2 (0.49) SMN1; SMN2
SCHEMBL30801878 0.78 TAAR1 (0.39) KMT2ATAAR1
SCHEMBL14085914 0.77 ALDH1A1 (0.49) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL30801898 0.75 HTR2C (0.37) TAAR1
SCHEMBL23573934 0.73 CTSS (0.43) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL23573935 0.73 CTSS (0.43) POLBCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL29516262 0.69 SIGMAR1 (0.47) POLBCYP2D6CYP2C9CYP2C19KMT2A

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
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