SCHEMBL22493237

SCHEMBL22493237

CC[C@H](CNC(C)(C)C)c1cccc(NC2CCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.41
▸ ADRB1 P08588 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK14 Q16539 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ PTGS1 P23219 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
SCHEMBL26858873 0.95 ADRB1 (0.38) CTSKADRB1LMNACYP1A2CYP2D6
SCHEMBL22481296 0.84 ADRB1 (0.54) CTSKADRB1LMNASMN1; SMN2KDM4E
SCHEMBL22481314 0.84 ADRB1 (0.54) CTSKADRB1LMNASMN1; SMN2KDM4E
SCHEMBL22481122 0.81 ADRB1 (0.54) CTSKADRB1LMNASMN1; SMN2KDM4E
SCHEMBL22481295 0.81 ADRB1 (0.54) CTSKADRB1LMNASMN1; SMN2KDM4E
SCHEMBL22493356 0.80 ADRB1 (0.39) CTSKADRB1LMNACYP1A2CYP2D6
SCHEMBL22481138 0.79 ADRB1 (0.56) CTSKADRB1LMNACYP1A2CYP2D6
SCHEMBL22481230 0.79 ADRB1 (0.56) CTSKADRB1LMNACYP1A2CYP2D6
SCHEMBL8274281 0.71 CTSK (0.53) CTSKLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL22481164 0.70 ADRB1 (0.55) ADRB1LMNACYP1A2CYP2D6KMT2A

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-2020198466-A9 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-12-30 — — WO disclosed
WO-2020198466-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2020-10-01 — — WO disclosed
Send feedback