SCHEMBL30179045

SCHEMBL30179045

C[C@@H]1c2c([nH]c3nnc(-c4ccccc4O)cc23)CCN1C1CC2(C1)CN(C1CCN(C3CCN(C(=O)OCc4ccccc4)CC3)CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 6/20 0.36
▸ SIGMAR1 Q99720 6/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HRH2 P25021 2/20 0.36
▸ HRH1 P35367 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ JAK2 O60674 3/20 0.36

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
SCHEMBL30178663 1.00 TMEM97 (0.36) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL25602819 1.00 TMEM97 (0.36) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL25624409 0.94 SMN1; SMN2 (0.38) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL25224353 0.89 GRIN2B (0.37) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL30178778 0.89 GRIN2B (0.37) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL24838315 0.89 SMARCA2 (0.42) HRH3
SCHEMBL24837913 0.87 SMARCA2 (0.43) HRH3NPC1RAB9A
SCHEMBL24838328 0.87 SMARCA2 (0.41) HRH3
SCHEMBL30179049 0.85 SMARCA2 (0.40) —
SCHEMBL30178943 0.85 SMARCA2 (0.40) —

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
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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