SCHEMBL8860073

SCHEMBL8860073

CCCN(c1ccncc1)N1C(=O)C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
MAPK1 P28482 1/20 0.51
SLC6A2 P23975 11/20 0.45
KCNQ2 O43526 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.38

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
SCHEMBL8860093 0.84 SLC6A2 (0.48) SLC6A2
SCHEMBL8873154 0.81 ALDH1A1 (0.61) CYP1A2CYP3A4CYP2C9ALDH1A1CYP2D6
SCHEMBL9850893 0.81 SLC6A2 (0.44) ALDH1A1SLC6A2
Water SCHEMBL9388278 0.80 MAPK1 (0.61) CYP1A2CYP3A4CYP2C9ALDH1A1CYP2D6
Water SCHEMBL9388270 0.80 MAPK1 (0.61) CYP1A2CYP3A4CYP2C9ALDH1A1CYP2D6
SCHEMBL8873100 0.80 SLC6A2 (0.43) ALDH1A1SLC6A2
SCHEMBL8874045 0.79 ALDH1A1 (0.62) CYP1A2CYP3A4CYP2C9ALDH1A1CYP2D6
SCHEMBL8872009 0.78 SLC6A2 (0.42) SLC6A2
SCHEMBL8295650 0.74 ALDH1A1 (0.66) CYP1A2CYP3A4CYP2C9ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL8300406 0.73 MAPK1 (0.65) CYP1A2CYP3A4CYP2C9ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053511-A Analgesics; anticonvulsants; treatment for alzheimers disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-10-01 US claimed
US-5686626-A COGNITION ACTIVATORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5621116-A CHEMICAL INTERMEDIATES; MEMORY ENHANCERS FOR TREATMENT OF ALZHEIMER*S, ANALGESICS, ANTICONVULSANTS HOECHST MARION ROUSSEL, INC. (US) 1997-04-15 US disclosed
US-5464846-A Learning enhancement, Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-11-07 US disclosed
EP-0415102-B1 1,3-Dihydro-1-(pyridinylamino)-2H-indol-2-ones, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-02-01 EP disclosed
US-5179119-A Cognition activators; alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-12 US disclosed
US-5053511-A Analgesics; anticonvulsants; treatment for alzheimers disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-10-01 US disclosed
EP-0415102-A1 1,3-Dihydro-1-(pyridinylamino)-2H-indol-2-ones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-06 EP disclosed