SCHEMBL8894960

SCHEMBL8894960

O=CC(N1CCN(CCN2CCOCC2)CC1)n1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.49
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ UTS2R Q9UKP6 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL10974768 0.88 TMEM97 (0.47) TMEM97DRD2DRD4CYP3A4CYP2D6
SCHEMBL11403161 0.86 TMEM97 (0.45) TMEM97DRD2DRD4SIGMAR1MAPK1
SCHEMBL8902245 0.84 TMEM97 (0.47) TMEM97DRD2DRD4SIGMAR1HTR1A
SCHEMBL10724198 0.82 TMEM97 (0.41) TMEM97DRD2DRD4SIGMAR1
Hydrochloric Acid SCHEMBL10721606 0.81 TMEM97 (0.40) TMEM97SIGMAR1
SCHEMBL10720127 0.81 TMEM97 (0.40) TMEM97SIGMAR1
SCHEMBL10724191 0.80 TMEM97 (0.41) TMEM97CYP3A4CYP2D6SIGMAR1TP53
Hydrochloric Acid SCHEMBL10723941 0.80 TMEM97 (0.39) TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL10721852 0.79 TMEM97 (0.38) TMEM97SIGMAR1
SCHEMBL10656985 0.78 TMEM97 (0.40) TMEM97PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 — — WO disclosed
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