SCHEMBL10385161

SCHEMBL10385161

Cn1cncc1CC1CSC(=O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.58
LMNA P02545 3/20 0.49
CYP3A4 P08684 3/20 0.49
CHRM4 P08173 2/20 0.49
CHRM1 P11229 2/20 0.49
CYP2C9 P11712 2/20 0.49
CHRM3 P20309 2/20 0.49
CHRM2 P08172 1/20 0.49
CYP2A6 P11509 1/20 0.49
CNR1 P21554 1/20 0.49
HTR2A P28223 1/20 0.49
CYP2A13 Q16696 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL10385217 0.70 LMNA (0.62) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL10385167 0.70 LMNA (0.62) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL10385165 0.70 LMNA (0.62) CHRM5LMNACYP3A4CHRM4CHRM1
SCHEMBL10384658 0.69 CHRM5 (0.44) CHRM5LMNACYP3A4CHRM4CHRM1
Phosphoric Acid SCHEMBL10385164 0.66 LMNA (0.56) CHRM5LMNACYP3A4CHRM4CHRM1
Phosphoric Acid SCHEMBL10384531 0.66 LMNA (0.56) CHRM5LMNACYP3A4CHRM4CHRM1
Pilocarpine SCHEMBL41890 0.66 LMNA (1.00) CHRM5LMNACYP3A4CHRM4CHRM1
Pilocarpine SCHEMBL678045 0.66 LMNA (1.00) CHRM5LMNACYP3A4CHRM4CHRM1
Pilocarpine SCHEMBL3078492 0.66 LMNA (1.00) CHRM5LMNACYP3A4CHRM4CHRM1
Pilocarpine SCHEMBL725541 0.65 LMNA (1.00) CHRM5LMNACYP3A4CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977176-A Pilocarpine compounds which are used as pharmaceutical agents SANDOZ LTD. (CH) 1990-12-11 US claimed
US-4835174-A Pilocarpine derivatives SANDOZ LTD. (CH) 1989-05-30 US claimed
US-4977176-A Pilocarpine compounds which are used as pharmaceutical agents SANDOZ LTD. (CH) 1990-12-11 US disclosed
US-4835174-A Pilocarpine derivatives SANDOZ LTD. (CH) 1989-05-30 US disclosed