SCHEMBL30801744

SCHEMBL30801744

O=C1[C@H]2CNCCN2CCN1c1cc(-c2ccccc2)no1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PLAT P00750 1/20 0.35
IL4I1 Q96RQ9 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CPT1A P50416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL30801719 0.89 DRD2 (0.37) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30801830 0.89 CRHBP (0.43) USP30PLATHTR2C
SCHEMBL30801805 0.89 CRHBP (0.43) USP30PLATHTR2C
SCHEMBL30801848 0.87 USP30 (0.39) USP30CPT1AHTR2CHTR2B
SCHEMBL30801748 0.87 USP30 (0.39) USP30CPT1AHTR2CHTR2B
SCHEMBL30801750 0.86 PARP1 (0.39) NPC1RAB9AUSP30PLATMEN1
SCHEMBL30801850 0.86 USP30 (0.39) NPC1RAB9AUSP30MEN1KMT2A
SCHEMBL30801776 0.84 XDH (0.40) USP30PLATHTR2AHTR2CHTR2B
SCHEMBL30801891 0.80 NPC1 (0.37) NPC1RAB9ATAAR1MEN1KMT2A
SCHEMBL23574151 0.78 USP30 (0.50) USP30

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