SCHEMBL4023237

SCHEMBL4023237

CCCC1CC(=O)N(Cn2ccnc2)C1.O=C1CC(c2ccccc2)CN1Cn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
BRD4 O60885 3/20 0.40
TP53 P04637 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 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
SCHEMBL5030901 0.91 HPGD (0.40) TSHRHPGDBRD4TP53CHRM2
SCHEMBL661214 0.89 TSHR (0.55) TSHRHPGDBRD4TP53CHRM2
SCHEMBL21708169 0.89 TSHR (0.55) TSHRHPGDBRD4TP53CHRM2
SCHEMBL20555169 0.88 TBXAS1 (0.39)
SCHEMBL660885 0.88 TBXAS1 (0.39)
SCHEMBL23111251 0.79 CYP2C9 (0.32)
SCHEMBL664099 0.78 CYP19A1 (0.43) TSHRHPGD
SCHEMBL2328981 0.78 PRMT5 (0.43) TSHRHPGDBRD4TP53CHRM2
SCHEMBL661994 0.78 CYP2A6 (0.44) TSHRHPGDTP53
SCHEMBL2332530 0.78 SRD5A1 (0.48) TSHRHPGDTP53CHRM2CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
EP-1706376-B1 IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES UCB PHARMA SA (BE) 2009-03-04 EP disclosed