SCHEMBL14469165

SCHEMBL14469165

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3Br)[C@@H](C)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 7/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL14469167 0.91 ALDH1A1 (0.41) TSHRKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14469451 0.88 TSHR (0.46) TSHRHPGDKDM4EKMT2AMEN1
SCHEMBL14469560 0.79 ALDH1A1 (0.47) TSHRKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8223234 0.79 CYP3A4 (0.49) TSHRKMT2AMEN1
SCHEMBL8230536 0.79 CYP3A4 (0.49) TSHRKMT2AMEN1
SCHEMBL14469569 0.78 ALDH1A1 (0.47) TSHRKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14469551 0.77 KDM4E (0.48) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL14469477 0.77 KMT2A (0.58) TSHRKDM4EKMT2AMEN1ALDH1A1
SCHEMBL14469473 0.77 KMT2A (0.43) TSHRHPGDKDM4EKMT2AMEN1
SCHEMBL14469461 0.76 HDAC1 (0.46) TSHRKDM4EKMT2AMEN1FAAH

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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