SCHEMBL24642733

SCHEMBL24642733

CCN(CC)CCCC[C@H](NC1CCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GHSR Q92847 5/20 0.37
▸ LMNA P02545 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5530162 0.79 SMN1; SMN2 (0.47) SMN1; SMN2LMNASIGMAR1CPB2
SCHEMBL24642319 0.77 SIGMAR1 (0.43) LMNACHRM2CHRM1CYP1A2CYP2D6
SCHEMBL24642553 0.77 SIGMAR1 (0.43) SMN1; SMN2LMNACYP3A4CYP1A2CYP2D6
SCHEMBL24642520 0.75 LMNA (0.44) LMNACYP1A2CYP2D6SIGMAR1ALDH1A1
SCHEMBL15384058 0.75 SMN1; SMN2 (0.50) SMN1; SMN2LMNACHRM1ADRA1ADRD3
SCHEMBL19753551 0.75 SMN1; SMN2 (0.50) SMN1; SMN2LMNACHRM1ADRA1ADRD3
SCHEMBL12482729 0.74 LMNA (0.41) SMN1; SMN2LMNAALDH1A1
SCHEMBL9181567 0.74 CPB2 (0.55) CPB2
SCHEMBL9181564 0.74 CPB2 (0.55) CPB2
SCHEMBL5130749 0.73 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1

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-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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