SCHEMBL25807553

SCHEMBL25807553

CN(CCCI)CCCI

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
S1PR2 O95136 1/20 0.30

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
SCHEMBL24415183 0.94
SCHEMBL14186554 0.88 S1PR2 (0.39) CHRM2S1PR2S1PR1S1PR3S1PR5
SCHEMBL12961489 0.88
SCHEMBL20148775 0.84
SCHEMBL22663281 0.82 LMNA (0.35) CHRM2LMNA
SCHEMBL20342175 0.80 CHRM2 (0.36) CHRM2
Iodide SCHEMBL11571634 0.80 MEN1 (0.38) CHRM2TSHRLMNA
SCHEMBL896593 0.79
SCHEMBL16068177 0.78 DNM1 (0.52) CHRM2TSHRSIGMAR1S1PR2S1PR1
SCHEMBL13754284 0.78 SIGMAR1 (0.47) CHRM2TSHRALDH1A1SIGMAR1S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136144-A1 SURFACE TREATMENT AGENT, ARTICLE, METHOD FOR MANUFACTURING ARTICLE AGC株式会社 2023-07-20 WO disclosed
WO-2023132276-A1 COMPOSITION, METHOD FOR PRODUCING COMPOSITION, COATING LIQUID, ARTICLE, AND METHOD FOR PRODUCING ARTICLE AGC株式会社 2023-07-13 WO disclosed