SCHEMBL30359028

SCHEMBL30359028

Cc1csc(C(=O)N2C3CCC2CNC3)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
SSTR4 P31391 1/20 0.40
RAB9A P51151 1/20 0.37
MGLL Q99685 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
SPR P35270 1/20 0.34
GHSR Q92847 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA4 P43681 2/20 0.33
DPP4 P27487 1/20 0.33
POLB P06746 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
SCHEMBL30358993 0.82 TRPV4 (0.38) TRPV4
SCHEMBL30359120 0.75 TRPV4 (0.42) TRPV4RAB9AALDH1A1NPC1SPR
SCHEMBL30359020 0.75 TRPV4 (0.40) TRPV4RAB9AALDH1A1NPC1SPR
SCHEMBL30359147 0.74 ALDH1A1 (0.42) TRPV4MGLLALDH1A1
SCHEMBL30268871 0.72 SSTR4 (0.54) SSTR4RAB9AALDH1A1NPC1HSD17B10
SCHEMBL30358999 0.71 KCNK3 (0.42) TRPV4SPRCHRNA4
SCHEMBL30359182 0.71 KCNK3 (0.44) TRPV4POLB
SCHEMBL2725169 0.69 HPGD (0.49) RAB9AMGLLALDH1A1NPC1HSD17B10
SCHEMBL30359148 0.69 CHRNA4 (0.43) TRPV4RAB9ANPC1CHRNA4
SCHEMBL29663502 0.69 MGLL (0.36) SSTR4RAB9AMGLLHSD17B10

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
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed