SCHEMBL7967464

SCHEMBL7967464

Oc1cccc(CCN2CCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.65
SLC6A3 Q01959 3/20 0.65
SIGMAR1 Q99720 3/20 0.59
HTR7 P34969 2/20 0.55
DRD2 P14416 2/20 0.53
SLC6A4 P31645 1/20 0.53
DRD1 P21728 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7955357 0.98 HRH3 (0.63) HRH3SLC6A3SIGMAR1HTR7DRD2
SCHEMBL872805 0.88 HTR7 (0.66) HRH3SLC6A3SIGMAR1HTR7DRD2
SCHEMBL6310987 0.81 PRMT6 (0.62) HRH3DRD2
SCHEMBL1801087 0.81 HRH3 (0.63) HRH3SLC6A3SIGMAR1DRD2SLC6A4
SCHEMBL29966226 0.80 ALDH1A1 (0.64) HRH3DRD2
SCHEMBL10370403 0.80 ALDH1A1 (0.64) HRH3DRD2
SCHEMBL3154468 0.80 ALDH1A1 (0.64) HRH3DRD2
SCHEMBL10367496 0.80 ALDH1A1 (0.64) HRH3DRD2
SCHEMBL5175647 0.80 LTA4H (0.60) HRH3
SCHEMBL11274717 0.79 HRH3 (0.71) HRH3SLC6A3SIGMAR1SLC6A4L3MBTL3

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-6214832-B1 BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-04-10 US disclosed
US-4767769-A HISTAMINE-H2 ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1988-08-30 US disclosed
EP-0172631-A1 Therapeutic agents The Boots Company PLC (GB) 1986-02-26 EP disclosed