SCHEMBL14469172

SCHEMBL14469172

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3OC(F)(F)F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 16/20 0.49
▸ RAB9A P51151 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL14469177 0.89 MEN1 (0.44) EPHX2RAB9AMEN1KMT2A
SCHEMBL14469188 0.85 ALDH1A1 (0.46) RAB9AMEN1KMT2A
SCHEMBL14469186 0.82 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL14469187 0.80 MEN1 (0.43) EPHX2RAB9AMEN1KMT2A
SCHEMBL14469193 0.80 POLB (0.43) MEN1KMT2A
SCHEMBL14469170 0.79 KDM4E (0.48) EPHX2MEN1KMT2A
SCHEMBL14469551 0.79 KDM4E (0.48) RAB9AMEN1KMT2A
SCHEMBL14469365 0.78 KDM4E (0.48) RAB9AMEN1KMT2A
SCHEMBL14469298 0.78 MEN1 (0.47) EPHX2MEN1KMT2A
SCHEMBL14469573 0.78 MTNR1B (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
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