SCHEMBL27435772

SCHEMBL27435772

C=C(CNC(C)(C)Cc1ccc(OC)cc1)c1cccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.42
P2RX7 Q99572 1/20 0.39
ADRB2 P07550 5/20 0.39
ADRB3 P13945 3/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ACKR3 P25106 1/20 0.36
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL22481125 0.86 CASR (0.41) CASRP2RX7ADRB2ADRB3TP53
SCHEMBL22493429 0.76 CASR (0.46) CASRADRB2ADRB3TP53MAPT
SCHEMBL22481179 0.76 ADRB1 (0.63) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL22481123 0.76 ADRB1 (0.63) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL9365425 0.66 P2RX7 (0.53) P2RX7
SCHEMBL29508554 0.65 CASR (0.58) CASRADRB2ADRB3CYP2D6SLC6A2
SCHEMBL9366200 0.64 P2RX7 (0.53) P2RX7
SCHEMBL21776166 0.64 CASR (0.52) CASR
SCHEMBL5516663 0.64 CASR (0.58) CASRCYP2D6
SCHEMBL23541639 0.63 P2RX7 (0.57) P2RX7ACKR3

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 1 patent. 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