SCHEMBL16896911

SCHEMBL16896911

COc1cc2c(cc1N)OCCN2Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 11/20 0.40
▸ DRD2 P14416 2/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL16896788 0.86 HTT (0.43) DRD4DRD2TSHRMEN1KMT2A
SCHEMBL20373572 0.85 P2RX7 (0.40) DRD4DRD2TSHRMEN1KMT2A
SCHEMBL16896736 0.81 DRD4 (0.42) DRD4MEN1KMT2A
SCHEMBL18401134 0.77 TSHR (0.44) DRD4DRD2TSHRKMT2AHDAC1
SCHEMBL18326385 0.77 EZH2 (0.43) EZH2
SCHEMBL16896871 0.77 L3MBTL1 (0.52) DRD4MEN1KMT2A
SCHEMBL20373571 0.74 KDM4E (0.33) DRD4TSHRMEN1KMT2AHDAC1
SCHEMBL5519023 0.73 SMN1; SMN2 (0.45) HDAC1HDAC6
SCHEMBL14641711 0.73 TSHR (0.38) DRD4DRD2TSHRHDAC1HDAC6
SCHEMBL12107796 0.73 HTR2C (0.43) DRD4DRD2TSHRHDAC1HDAC6

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-3092227-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-11-16 — — EP disclosed
WO-2015104653-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed
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