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SCHEMBL4789508

SCHEMBL4789508

CC1CN(Cc2ccc(-c3cccnc3C(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CC(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 20/20 1.00
▸ CYP3A4 P08684 4/20 0.84
▸ CYP2D6 P10635 2/20 0.84
▸ GHSR Q92847 2/20 0.84
▸ CYP1A2 P05177 1/20 0.69

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
SCHEMBL5131588 1.00 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5127775 0.96 MLNR (0.93) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4750944 0.92 MLNR (0.86) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5129738 0.92 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4700720 0.91 MLNR (1.00) MLNRCYP3A4CYP2D6GHSR
SCHEMBL4696839 0.91 MLNR (1.00) MLNRCYP3A4CYP2D6GHSR
Hydrochloric Acid SCHEMBL5128213 0.91 MLNR (0.98) MLNRCYP3A4CYP2D6GHSR
SCHEMBL4753905 0.90 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL5131383 0.89 MLNR (0.84) MLNRCYP3A4CYP2D6GHSRCYP1A2
SCHEMBL4701087 0.89 MLNR (1.00) MLNRCYP3A4CYP2D6GHSRCYP1A2

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-1902022-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2008-03-26 — — EP disclosed
WO-2007007018-A1 PIPERAZINE HETEROARYL DERIVATES AS GPR38 AGONISTS GLAXO GROUP LIMITED (GB) 2007-01-18 — — WO disclosed