SCHEMBL26698239

SCHEMBL26698239

CN1CCN(C(C)(C(=O)O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.55
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM1 P11229 4/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
CHRM2 P08172 1/20 0.42
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL26698267 0.87 CHRM3 (0.52) CHRM3MEN1KMT2ACHRM1CHRM4
SCHEMBL7592805 0.86 CHRM3 (0.57) CHRM3
SCHEMBL3043721 0.84 CYP2B6 (0.59) CHRM3
SCHEMBL2126740 0.84 CYP2B6 (0.59) CHRM3
SCHEMBL4444477 0.84 CYP2B6 (0.59) CHRM3
SCHEMBL2127676 0.84 CYP2B6 (0.59) CHRM3
Hydrochloric Acid SCHEMBL8691034 0.83 CHRM3 (0.43) CHRM3KMT2ACHRM1CHRM4CHRM5
SCHEMBL27817328 0.82 CHRM3 (0.57) CHRM3MEN1KMT2ACHRM1ALDH1A1
SCHEMBL18284663 0.81 SIGMAR1 (0.45) CHRM3MEN1KMT2ACHRM1CHRM4
SCHEMBL3312757 0.81 SMN1; SMN2 (0.58) CHRM3KMT2AALDH1A1TSHRPOLB

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-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed