SCHEMBL22493430

SCHEMBL22493430

CC(C)(COc1ccccc1)NC[C@@](C)(O)c1cccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
IDH2 P48735 9/20 0.39
IDH1 O75874 3/20 0.35
P2RX7 Q99572 1/20 0.35
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
CYP2D6 P10635 1/20 0.34
CASR P41180 1/20 0.34
ABCB11 O95342 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGS1 P23219 1/20 0.34
ADORA1 P30542 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34
KDR P35968 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.33
GRM5 P41594 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
SCHEMBL22480867 0.90 ADRB1 (0.39) ADRB1IDH2IDH1P2RX7ADAMTS4
SCHEMBL22490214 0.78 ADAMTS4 (0.38) ADRB1IDH2IDH1ADAMTS4MMP13
SCHEMBL22480869 0.78 ADRB1 (0.66) ADRB1IDH2IDH1ADAMTS4MMP13
SCHEMBL22481213 0.78 ADRB1 (0.66) ADRB1IDH2IDH1ADAMTS4MMP13
SCHEMBL31074257 0.66 ADRB1 (0.49) ADRB1IDH2IDH1P2RX7ABCB11
SCHEMBL10696388 0.66 SMN1; SMN2 (0.48) CYP2D6
SCHEMBL30818115 0.65 ADRB1 (0.46) ADRB1IDH2IDH1P2RX7KCNH2
SCHEMBL1111306 0.65 ADRB1 (0.46) ADRB1IDH2IDH1P2RX7KCNH2
SCHEMBL7913813 0.65 CYP2D6 (0.56) CYP2D6CASR
Hydrochloric Acid SCHEMBL10567706 0.65 SMN1; SMN2 (0.47) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137506-A1 COMPOSITIONS AND METHODS FOR IMPROVING NEUROLOGICAL DISEASES AND DISORDERS CURASEN THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
WO-2023225021-A1 COMPOSITIONS AND METHODS FOR TREATING PATIENTS WITH AMYOTROPHIC LATERAL SCLEROSIS (ALS) CURASEN THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
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