SCHEMBL31569049

SCHEMBL31569049

C[C@@H]1c2cccnc2CCN1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.45
TRPC6 Q9Y210 1/20 0.45
LHCGR P22888 4/20 0.41
OPRK1 P41145 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
CYP2C8 P10632 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
KCNH2 Q12809 2/20 0.40
DRD1 P21728 2/20 0.40
GRM5 P41594 1/20 0.37
TBXAS1 P24557 1/20 0.37
HHAT Q5VTY9 1/20 0.36
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
SCHEMBL31569147 0.80 POLB (0.44) TRPC3TRPC6LHCGROPRK1TMEM97
SCHEMBL31569084 0.80 POLB (0.44) TRPC3TRPC6LHCGROPRK1TMEM97
SCHEMBL23326827 0.79 NPC1 (0.56) TRPC3TRPC6LHCGROPRK1TMEM97
SCHEMBL31568965 0.76 TRPC3 (0.45) TRPC3TRPC6GRM5KMT2A
SCHEMBL15222063 0.75 MAOA (0.40) TRPC3TRPC6HTR2AHTR2CHTR2B
SCHEMBL8034390 0.75 MAOA (0.40) TRPC3TRPC6HTR2AHTR2CHTR2B
SCHEMBL31569271 0.75 TRPC3 (0.42) TRPC3TRPC6LHCGROPRK1TMEM97
SCHEMBL31569061 0.74 PDE10A (0.46) TRPC3TRPC6DRD1P2RX7
SCHEMBL31569420 0.74 TRPC3 (0.42) TRPC3TRPC6LHCGRCYP2C8CYP2C9
SCHEMBL15020409 0.74 PPARG (0.39) TRPC3TRPC6LHCGROPRK1TMEM97

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-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed