SCHEMBL30178778

SCHEMBL30178778

C[C@@H]1c2c([nH]c3nnc(-c4ccccc4O)cc23)CCN1C1CCN(C2CCN(CC3CCN(C(=O)OCc4ccccc4)CC3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 10/20 0.37
▸ CYP2D6 P10635 4/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TMEM97 Q5BJF2 5/20 0.34
▸ SIGMAR1 Q99720 5/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HRH2 P25021 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA1D P25100 1/20 0.34

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
SCHEMBL25224353 1.00 GRIN2B (0.37) GRIN2BCYP2D6CYP2C9CYP3A4CHRM2
SCHEMBL25624409 0.95 SMN1; SMN2 (0.38) GRIN2BCYP2D6CYP2C9CHRM2CHRM1
SCHEMBL24837893 0.90 SMARCA2 (0.41) —
SCHEMBL30178663 0.89 TMEM97 (0.36) GRIN2BCYP2D6CYP2C9CHRM2CHRM1
SCHEMBL30179045 0.89 TMEM97 (0.36) GRIN2BCYP2D6CYP2C9CHRM2CHRM1
SCHEMBL25602819 0.89 TMEM97 (0.36) GRIN2BCYP2D6CYP2C9CHRM2CHRM1
SCHEMBL30178717 0.87 SMARCA2 (0.43) —
SCHEMBL24838422 0.87 SMARCA2 (0.43) —
SCHEMBL30179168 0.85 SMARCA2 (0.42) CHRM2CHRM1CHRM4
SCHEMBL30178526 0.85 SMARCA2 (0.42) CHRM2CHRM1CHRM4

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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