SCHEMBL10932211

SCHEMBL10932211

NC(=O)COCCN1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
HTR7 P34969 7/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
TACR1 P25103 3/20 0.43
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 1/20 0.40
MC4R P32245 1/20 0.40
BACE1 P56817 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
SCHEMBL2058741 0.90 HRH3 (0.49) HRH3HTR7DRD2DRD4DRD3
Water SCHEMBL10930920 0.89 HRH3 (0.48) HRH3HTR7DRD2DRD4DRD3
SCHEMBL1569359 0.89 HTR7 (0.50) HRH3HTR7DRD3KDM4EALDH1A1
SCHEMBL7628259 0.87 HTR7 (0.48) HRH3HTR7DRD2DRD4DRD3
SCHEMBL11125568 0.87 HTR7 (0.54) HRH3HTR7HTR1A
SCHEMBL10928076 0.86 TACR1 (0.48) HRH3HTR7DRD2TACR1HTR1A
Hydrochloric Acid SCHEMBL10931643 0.86 HTR7 (0.53) HRH3HTR7HTR1A
Hydrochloric Acid SCHEMBL10930120 0.86 HTR7 (0.47) HRH3HTR7DRD2DRD4DRD3
SCHEMBL7633647 0.85 HTR7 (0.53) HRH3HTR7HTR1AKDM4EALDH1A1
SCHEMBL7630560 0.82 HTR7 (0.48) HRH3HTR7DRD3TACR1HTR1A

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
US-4525358-A ANTIHISTAMINES, ANTIALLERGENS, ANTISPASMODICS, BRONCHODILATORS UCB PHARMACEUTICALS, INC. (US) 1985-06-25 US disclosed
EP-0058146-B1 2-(4-(DIPHENYLMETHYL)-1-PIPERAZINYL)-ACETIC ACIDS AND THEIR AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS U C B, S.A. (BE) 1984-06-27 EP disclosed
EP-0058146-A1 2-(4-(Diphenylmethyl)-1-piperazinyl)-acetic acids and their amides, process for their preparation and pharmaceutical compositions U C B, S.A. (BE) 1982-08-18 EP disclosed