SCHEMBL31435337

SCHEMBL31435337

CC(C)Cc1ccc(CCl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
PDE10A Q9Y233 1/20 0.37
FAAH O00519 1/20 0.35
S1PR1 P21453 1/20 0.34
P2RX3 P56373 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ALB P02768 1/20 0.31
ALOX5 P09917 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
SCHEMBL18858527 0.86 ESR1 (0.42) ESR1ESR2PDE10AFAAHS1PR1
SCHEMBL12810601 0.82 HRH3 (0.47) ESR1ESR2PDE10AS1PR1HRH3
SCHEMBL29044503 0.81 ESR1 (0.39) ESR1ESR2PDE10AS1PR1P2RX3
SCHEMBL31435312 0.81 ESR1 (0.42) ESR1ESR2PDE10AS1PR1P2RX3
SCHEMBL15316716 0.79 SMN1; SMN2 (0.40) ESR1ESR2PDE10AS1PR1HRH3
SCHEMBL4135195 0.79 HRH3 (0.34) HRH3CYP1A2CYP2D6HTR2A
SCHEMBL18924411 0.78 CHRNB2 (0.42) ESR1ESR2PDE10AS1PR1HRH3
SCHEMBL19891694 0.78 ESR1 (0.38) ESR1ESR2PDE10AS1PR1P2RX3
SCHEMBL4121733 0.78 HRH3 (0.42) HRH3CYP1A2CYP2D6PTGS1PTGS2
SCHEMBL15496051 0.76 PKM (0.36) ESR1ESR2P2RX3CYP2C9TSHR

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-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed