SCHEMBL20909663

SCHEMBL20909663

Cc1nccc(C(C)(C)F)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
AAK1 Q2M2I8 7/20 0.34
SORT1 Q99523 2/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
ADRB1 P08588 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10193126 0.87 GRM4 (0.35) GRM4AAK1SORT1KDM4ELMNA
SCHEMBL171691 0.84 ADRB1 (0.43) GRM4SORT1KDM4EADRB1
SCHEMBL803084 0.82 SYK (0.39) GRM4AAK1KDM4ELMNAALDH1A1
SCHEMBL28173201 0.81 SORT1 (0.36) GRM4AAK1SORT1KDM4ELMNA
SCHEMBL31543495 0.78 GABRA1 (0.39) ADRB1
SCHEMBL1661164 0.78 GABRA1 (0.39) ADRB1
SCHEMBL20031180 0.78 GRM4 (0.35) GRM4AAK1KDM4ELMNAALDH1A1
SCHEMBL28203328 0.78 HCRTR1 (0.35) GRM4AAK1KDM4ELMNA
SCHEMBL22795813 0.78 AAK1 (0.33) GRM4AAK1SORT1KDM4ELMNA
SCHEMBL27269565 0.77 ADORA2A (0.33) ADRB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed