SCHEMBL11037599

SCHEMBL11037599

COc1ccc(-c2ccccc2C=C2CCN(CCOCC(N)=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.41
HTR1A P08908 6/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ACHE P22303 2/20 0.40
BACE1 P56817 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
CTRB1 P17538 1/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM3 P20309 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
Hydrochloric Acid SCHEMBL11037586 0.99 HTR7 (0.41) HTR7HTR1AKCNH2HRH3ACHE
Hydrochloric Acid SCHEMBL11034929 0.90 HTR7 (0.41) HTR7HTR1AKCNH2HRH3ACHE
SCHEMBL11036104 0.88 KDM4E (0.41) HTR7HTR1ADRD3DRD2POLB
SCHEMBL11287903 0.88 HRH1 (0.42) HTR7HTR1AKCNH2DRD3DRD2
Hydrochloric Acid SCHEMBL11036483 0.87 HRH1 (0.43) HTR7HTR1AKCNH2DRD3DRD2
SCHEMBL11034686 0.86 KDM4E (0.41) HTR7HTR1AKCNH2DRD3DRD2
SCHEMBL11125568 0.82 HTR7 (0.54) HTR7HTR1AHRH3ACHEF2
SCHEMBL11100917 0.82 SCN9A (0.37) KCNH2DRD3
Hydrochloric Acid SCHEMBL11034454 0.81 HRH1 (0.38) KCNH2DRD3
Hydrochloric Acid SCHEMBL10931643 0.81 HTR7 (0.53) HTR7HTR1AHRH3ACHEF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048705-B1 2-(4-(DIPHENYLMETHYLENE)-1-PIPERIDINYL)-ACETIC ACIDS AND THEIR AMIDES, THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM U C B, S.A. (BE) 1984-07-11 EP claimed
EP-0048705-A1 2-(4-(Diphenylmethylene)-1-piperidinyl)-acetic acids and their amides, their preparation and pharmaceutical preparations containing them U C B, S.A. (BE) 1982-03-31 EP claimed
EP-0048705-B1 2-(4-(DIPHENYLMETHYLENE)-1-PIPERIDINYL)-ACETIC ACIDS AND THEIR AMIDES, THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM U C B, S.A. (BE) 1984-07-11 EP disclosed
US-4443460-A ANTIALLERGENS, ANTIHISTAMINES, ANTISPASMODICS, BRONCHODILATORS UCB, SOCIETE ANONYME (BE) 1984-04-17 US disclosed
EP-0048705-A1 2-(4-(Diphenylmethylene)-1-piperidinyl)-acetic acids and their amides, their preparation and pharmaceutical preparations containing them U C B, S.A. (BE) 1982-03-31 EP disclosed