SCHEMBL7865435

SCHEMBL7865435

O=C1NCC(NCc2ccccc2)C12CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
MC4R P32245 1/20 0.39
OPRM1 P35372 6/20 0.38
OPRL1 P41146 2/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A9 P48067 6/20 0.37
SLC6A5 Q9Y345 3/20 0.37
KCNH2 Q12809 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8195573 0.69 EPHX1 (0.45) GRIN2BOPRM1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL19853699 0.69 GRIN2B (0.54) GRIN2BOPRM1OPRL1
SCHEMBL3742060 0.67 MAPK1 (0.49) GRIN2BMC4RALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28502622 0.67 KDM1A (0.47) GRIN2BKDM1AMAOA
SCHEMBL23023073 0.65 KDM1A (0.41) GRIN2BOPRM1OPRL1KDM1AMAOA
SCHEMBL31312678 0.65 MC4R (0.43) GRIN2BMC4RKDM1AMAOA
SCHEMBL8186106 0.64 GRIN2B (0.56) GRIN2BMC4ROPRM1OPRL1KDM1A
SCHEMBL15601254 0.64 GRIN2B (0.41) GRIN2BMC4ROPRM1OPRL1KDM1A
SCHEMBL22144684 0.64 ALKBH5 (0.44) GRIN2BKDM1AMAOAHSD17B10ALDH1A1
SCHEMBL9690902 0.64 ALKBH5 (0.44) GRIN2BKDM1AMAOAHSD17B10ALDH1A1

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
EP-1148047-A2 Processes for preparing cyclic compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed
US-6218548-B1 (TRIARYLMETHYL)AMINOSPIROPYRROLES DAIICHI PAHARMACEUTICAL CO., LTD. (JP) 2001-04-17 US disclosed
EP-0829473-A1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-18 EP disclosed