SCHEMBL8023202

SCHEMBL8023202

N#Cc1ccccc1Cc1cccc2c1=NC(=O)N=2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CTSB P07858 1/20 0.33
KMT2A Q03164 2/20 0.33
CREBBP Q92793 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLAU P00749 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL15822716 0.76 CTRC (0.40)
SCHEMBL11567441 0.76 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2153612 0.75 CYP19A1 (0.48) CYP19A1CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL3232243 0.72 GABRA1 (0.45)
SCHEMBL28528207 0.71 CYP19A1 (0.36) CYP19A1CA1CA2ALDH1A1CTSB
SCHEMBL8070651 0.70 CYP19A1 (0.42) CYP19A1CA1CA2ALDH1A1SMN1; SMN2
SCHEMBL8023207 0.70 KDM4E (0.41) SMN1; SMN2MAPTKDM4E
SCHEMBL8932159 0.69 TDP1 (0.30)
SCHEMBL28183864 0.68
SCHEMBL6208851 0.68 GABRA1 (0.36)

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-0816356-B1 1-(2-(1-piperidinyl)-1-ethyl)-1,3-dihydro-2H-benzimidazole derivatives and their pharmaceutical use LILLY CO ELI (GB) 2000-11-02 EP disclosed
US-6075039-A 5HT receptor binding benzimidazolylpiperidines ELI LILLY AND COMPANY LIMITED (GB) 2000-06-13 US disclosed
EP-0816356-A1 1-(2-(1-piperidinyl)-1-ethyl)-1,3-dihydro-2H-benzimidazole derivatives and their pharmaceutical use ELI LILLY AND COMPANY LIMITED (GB) 1998-01-07 EP disclosed