SCHEMBL7324342

SCHEMBL7324342

Oc1ccc(C2CNCC2c2ccc(Br)cc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 8/20 0.42
KDM1B Q8NB78 2/20 0.41
KCNH2 Q12809 2/20 0.40
MAOB P27338 2/20 0.40
RCOR1 Q9UKL0 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7333836 0.85 KDM1A (0.47) QDPRMEN1POLBGAAKMT2A
Bromide SCHEMBL7300676 0.83 QDPR (0.46) QDPRMEN1POLBGAAKMT2A
Bromide SCHEMBL7300664 0.83 QDPR (0.46) QDPRMEN1POLBGAAKMT2A
Bromide SCHEMBL7300656 0.83 QDPR (0.46) QDPRMEN1POLBGAAKMT2A
SCHEMBL9151744 0.83 QDPR (0.46) QDPRMEN1POLBGAAKMT2A
SCHEMBL7324782 0.83 QDPR (0.46) QDPRMEN1POLBGAAKMT2A
SCHEMBL7324417 0.76 SLC6A3 (0.47) QDPRMEN1POLBGAAKMT2A
SCHEMBL20149036 0.74 KDM1A (0.45) KDM1AKDM1BKCNH2MAOBRCOR1
SCHEMBL20149028 0.74 KDM1A (0.45) KDM1AKDM1BKCNH2MAOBRCOR1
SCHEMBL7303008 0.73 PARP1 (0.45) QDPRMEN1POLBGAAKMT2A

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-5444083-A DOPAMINE AGONIST FOR TREATING OR PREVENTION OF HYPERTENSION OR HEART FAILURE EISAI CO., LTD. (JP) 1995-08-22 US disclosed
EP-0381235-B1 PYRROLIDINE COMPOUND AND PHARMACEUTICAL USE Eisai Co., Ltd. (JP) 1993-07-28 EP disclosed
EP-0381235-A2 Pyrrolidine compound and pharmaceutical use Eisai Co., Ltd. (JP) 1990-08-08 EP disclosed