SCHEMBL9026922

SCHEMBL9026922

Cc1ncc(CC[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2Cc2ccccc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.33
ACHE P22303 2/20 0.32
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
THRB P10828 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9026928 1.00 GNRHR (0.33) GNRHRACHEMAPTHRH3THRB
SCHEMBL9027714 0.80 SIGMAR1 (0.43) MAPTPOLBLMNA
SCHEMBL3400412 0.80 SIGMAR1 (0.43) MAPTPOLBLMNA
SCHEMBL8832661 0.80 SIGMAR1 (0.43) MAPTPOLBLMNA
SCHEMBL9026664 0.78 DRD2 (0.34) MAPTTHRBCHRM2CHRM4CHRM5
SCHEMBL1440293 0.78 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL1440297 0.78 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL31309170 0.78 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1
SCHEMBL30204127 0.78 MAPT (0.39) MAPTTHRBCHRM2CHRM4CHRM5
SCHEMBL18387532 0.78 SIGMAR1 (0.42) MAPTCHRM2CHRM4CHRM5CHRM1

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
EP-0722447-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-24 EP disclosed
WO-1995010520-A1 3-PYRROLIDINYLTHIO-CARBAPENEM DERIVATIVES AND THEIR ANTIMICROBAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-20 WO disclosed