SCHEMBL6599237

SCHEMBL6599237

C[C@@H]1CNCC[C@@H]1c1c(F)ccc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 8/20 0.36
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
NMT1 P30419 1/20 0.31
PRKCQ Q04759 1/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30

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
SCHEMBL6599236 1.00 PRKCI (0.36) PRKCICDK7CCNHMNAT1NMT1
SCHEMBL6599232 1.00 PRKCI (0.36) PRKCICDK7CCNHMNAT1NMT1
Oxalic Acid SCHEMBL6596644 0.93 P2RY14 (0.34) PRKCICDK7CCNHMNAT1PRKCQ
Oxalic Acid SCHEMBL6596649 0.93 P2RY14 (0.34) PRKCICDK7CCNHMNAT1PRKCQ
Oxalic Acid SCHEMBL6596632 0.93 P2RY14 (0.34) PRKCICDK7CCNHMNAT1PRKCQ
Hydrochloric Acid SCHEMBL6597105 0.75 HTR2C (0.36) PRKCICDK7CCNHMNAT1PRKCQ
Hydrochloric Acid SCHEMBL6597110 0.75 HTR2C (0.36) PRKCICDK7CCNHMNAT1PRKCQ
Hydrochloric Acid SCHEMBL6597102 0.75 HTR2C (0.36) PRKCICDK7CCNHMNAT1PRKCQ
Hydrochloric Acid SCHEMBL6596577 0.75 PRKCI (0.33) PRKCIPRKCQCHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL6596636 0.75 SLC6A2 (0.40) PRKCINMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204660-B1 SEROTONERGIC BENZOTHIOPHENES LILLY CO ELI (US) 2004-10-20 EP disclosed
EP-1204660-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009126-A1 SEROTONERGIC BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed