SCHEMBL17422607

SCHEMBL17422607

O=CC(Cl)N1CCC(Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RHOC P08134 1/20 0.46
▸ RHOA P61586 1/20 0.46
▸ TEAD1 P28347 5/20 0.42
▸ CCR5 P51681 1/20 0.41
▸ EPHX2 P34913 9/20 0.41
▸ MLNR O43193 1/20 0.41
▸ PHGDH O43175 1/20 0.40
▸ PAK1 Q13153 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL21856317 0.78 IDH2 (0.43) TEAD1EPHX2MLNRPHGDH
SCHEMBL2727460 0.74 MEN1 (0.47) RHOCRHOATEAD1CCR5EPHX2
SCHEMBL6125248 0.74 POLB (0.63) RHOCRHOACCR5EPHX2MLNR
SCHEMBL5544096 0.74 RHOC (0.60) RHOCRHOATEAD1CCR5EPHX2
SCHEMBL15740363 0.73 CA2 (0.49) —
SCHEMBL14562834 0.72 RHOC (0.58) RHOCRHOATEAD1CCR5EPHX2
SCHEMBL22719543 0.72 TEAD1 (0.70) RHOCRHOATEAD1CCR5EPHX2
SCHEMBL21856340 0.72 MALT1 (0.43) TEAD1EPHX2MLNR
SCHEMBL4239228 0.72 UBE2M (0.45) RHOCRHOATEAD1CCR5EPHX2
SCHEMBL21856333 0.72 PHGDH (0.46) TEAD1EPHX2MLNRPHGDH

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-3177291-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS Intervet International B.V. (NL) 2017-06-14 — — EP disclosed
WO-2016005576-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INTERNATIONAL B.V. (NL) 2016-01-14 — — WO disclosed
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