SCHEMBL7238995

SCHEMBL7238995

N#Cc1ccc(C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
THRB P10828 1/20 0.58
DRD2 P14416 2/20 0.55
ACHE P22303 1/20 0.51
CCR5 P51681 1/20 0.51
CHRM4 P08173 1/20 0.51
DRD4 P21917 1/20 0.50
CCR3 P51677 1/20 0.50
OPRM1 P35372 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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 SCHEMBL10625447 0.99 HRH3 (0.64) HRH3MEN1KMT2ATHRBDRD2
SCHEMBL8844253 0.93 HRH3 (0.60) HRH3MEN1KMT2ATHRBDRD2
SCHEMBL27353627 0.86 SIGMAR1 (0.61) MEN1KMT2ADRD2ACHECCR5
SCHEMBL1002852 0.84 MEN1 (0.81) MEN1KMT2ADRD2ACHECCR5
SCHEMBL7887513 0.84 HRH3 (0.57) HRH3THRBACHECHRM4CCR3
SCHEMBL7571134 0.81 MEN1 (0.88) MEN1KMT2ADRD2ACHECCR5
SCHEMBL9070278 0.81 MEN1 (0.67) MEN1KMT2ADRD2ACHECCR5
SCHEMBL4576884 0.81 CCR3 (0.74) HRH3MEN1KMT2ATHRBCHRM4
SCHEMBL8659907 0.80 MEN1 (0.65) MEN1KMT2ADRD2ACHECCR5
SCHEMBL2588250 0.80 MEN1 (0.65) MEN1KMT2ADRD2ACHECCR5

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
US-6664273-B2 Having at least cyanobenzyl and amidobenzyl substituents; obesity, metabolic disorders, eating disorders such as hyperphagia and diabetes SCHERING CORPORATION 2003-12-16 US disclosed
EP-0609282-A1 CYCLOHEXANEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-10 EP disclosed
EP-0542363-A2 Piperidineacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-05-19 EP disclosed
WO-1993008181-A1 CYCLOHEXANEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-04-29 WO disclosed
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed