SCHEMBL4714358

SCHEMBL4714358

Clc1ccc(C(c2ccc(Cl)cc2)c2ccccc2N2CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 2/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ADRA2A P08913 3/20 0.40
▸ SLC6A2 P23975 3/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ HTR1A P08908 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ DRD1 P21728 2/20 0.40
▸ TBXA2R P21731 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ OPRM1 P35372 1/20 0.40

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
SCHEMBL10638612 0.80 KEAP1 (0.45) KCNQ2MEN1KMT2AADRA2ASLC6A2
SCHEMBL7898832 0.80 MEN1 (0.47) KCNQ2MEN1KMT2AADRA2ASLC6A2
SCHEMBL30407939 0.69 ADRB1 (0.65) HTR1AADRA1ADRD3ALDH1A1KDM4E
SCHEMBL11387898 0.69 MEN1 (0.42) KCNQ2MEN1KMT2ACYP2D6SMN1; SMN2
SCHEMBL4711312 0.69 CNR1 (0.49) MEN1KMT2ASLC6A4CYP3A4HTR1A
SCHEMBL4547918 0.67 GAA (0.48) KCNQ2HTR1AALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL11277803 0.67 KEAP1 (0.44) KCNQ2CYP3A4CYP2D6KCNH2ALDH1A1
SCHEMBL4423797 0.66 MAPK1 (0.60) DRD3ALDH1A1KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL23064470 0.66 GAA (0.47) KCNQ2MEN1KMT2AHTR1AALDH1A1
SCHEMBL12190503 0.66 KEAP1 (0.52) KCNQ2MEN1KMT2AHTR1AALDH1A1

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
EP-1962834-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA Aventis Pharmaceuticals Inc. (US) 2008-09-03 — — EP claimed
WO-2007067617-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 — — WO claimed
EP-1962834-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA Aventis Pharmaceuticals Inc. (US) 2008-09-03 — — EP disclosed
WO-2007067617-A2 USE OF A CB1 ANTAGONIST FOR TREATING NEGATIVE SYMPTOMS OF SCHIZOPHRENIA AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 — — WO disclosed
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