SCHEMBL15085707

SCHEMBL15085707

NC1(C(=O)NC2(c3cccc(I)n3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
FPR2 P25090 2/20 0.30

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
SCHEMBL3659469 0.84 ADORA2A (0.35) ADORA2AFPR2
SCHEMBL15085706 0.83 ADORA2A (0.31) ADORA2A
SCHEMBL3660360 0.75 P2RX7 (0.37) ADORA2A
SCHEMBL10277614 0.74 EPHX2 (0.31)
SCHEMBL3660008 0.73 ALDH1A1 (0.31)
SCHEMBL15295451 0.70 SMN1; SMN2 (0.38)
SCHEMBL10277702 0.69 HTR3E (0.34)
SCHEMBL15375626 0.69
SCHEMBL3656722 0.69 ADORA2A (0.41) ADORA2AFPR2
SCHEMBL2392985 0.68

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-2445914-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed