Sugi Predict

Sugi Predict / Compounds / SCHEMBL4757548

SCHEMBL4757548

SCHEMBL4757548

CCC(C#N)(CC1C2CCC1C[N+](C)(Cc1ccccc1)C2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 18/20 0.46
▸ CHRM2 P08172 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CCR1 P32246 1/20 0.33
▸ EBP Q15125 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL4755434 0.79 CHRM3 (0.41) CHRM3CHRM2CHRM1CCR1
SCHEMBL4756790 0.78 CHRM3 (0.39) CHRM3CHRM2CHRM1CCR1EBP
SCHEMBL4758052 0.78 DRD2 (0.42) CHRM3CHRM2CHRM1CCR1
SCHEMBL4789936 0.77 CHRM3 (0.33) CHRM3CHRM2CHRM1
SCHEMBL4758026 0.75 RGS12 (0.41) CHRM3CHRM2CHRM1
SCHEMBL4789539 0.71 CHRM3 (0.41) CHRM3CHRM2CHRM1
SCHEMBL4789739 0.70 CHRM3 (0.36) CHRM3CHRM2CHRM1CCR1
SCHEMBL4789918 0.69 CHRM3 (0.36) CHRM3CHRM2CHRM1CCR1
SCHEMBL13271382 0.68 CYP2D6 (0.44) CHRM3CHRM2CHRM1CCR1EBP
SCHEMBL10625675 0.68 ATM (0.47) CHRM3CHRM2CHRM1CCR1EBP

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-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 — — WO claimed
WO-2008117229-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-10-02 — — WO disclosed