SCHEMBL14469479

SCHEMBL14469479

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cc(Br)ccc3OC)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.52
▸ KDM4E B2RXH2 11/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ LMNA P02545 3/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MTNR1B P49286 1/20 0.42

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
SCHEMBL14469551 0.88 KDM4E (0.48) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL14469113 0.86 ALDH1A1 (0.46) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL14469459 0.85 KDM4E (0.56) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL14469552 0.85 ALDH1A1 (0.49) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL14469471 0.85 ALDH1A1 (0.48) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL14469468 0.84 KDM4E (0.48) KDM4EALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL14469451 0.82 TSHR (0.46) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL14469474 0.80 MTNR1B (0.49) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL14469560 0.80 ALDH1A1 (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL14469469 0.79 KDM4E (0.49) KDM4EALDH1A1TDP1LMNAMEN1

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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