SCHEMBL10733643

SCHEMBL10733643

CCOC(=O)c1cc(Cl)sc1NC(=O)NCCN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
MAPT P10636 1/20 0.57
DRD4 P21917 3/20 0.56
DRD2 P14416 4/20 0.55
ADRA1A P35348 2/20 0.55
DRD3 P35462 1/20 0.55
ADORA2B P29275 1/20 0.52
HTR4 Q13639 1/20 0.52
HTR1A P08908 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL8048553 0.89 MAPT (0.58) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL10732710 0.85 USP2 (0.60) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL10728158 0.84 LMNA (0.62) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL8047488 0.81 DRD2 (0.56) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL10728148 0.81 DRD2 (0.60) DRD4DRD2ADRA1ADRD3HTR1A
SCHEMBL10733634 0.80 MAPT (0.51) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL8054110 0.79 DRD2 (0.59) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL8051079 0.78 LMNA (0.55) LMNAKMT2AUSP2MAPTDRD4
SCHEMBL10732716 0.76 MAPT (0.52) LMNAKMT2AUSP2MAPTDRD2
SCHEMBL10729287 0.74 LMNA (0.66) LMNAKMT2AUSP2MAPTDRD4

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-4707550-A N-(substituted thienyl)-N'-(substituted piperazinyl)-ureas ORTHO PHARMACEUTICAL CORPORATION (US) 1987-11-17 US claimed
US-4707550-A N-(substituted thienyl)-N'-(substituted piperazinyl)-ureas ORTHO PHARMACEUTICAL CORPORATION (US) 1987-11-17 US disclosed
EP-0244176-A2 Thienopyrimidine-2,4-dione derivatives and intermediates thereof ORTHO PHARMACEUTICAL CORPORATION (US) 1987-11-04 EP disclosed
US-4670560-A VASODILATING AGENTS, HYPOTENSIVE AGENTS AND/OR CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-06-02 US disclosed