SCHEMBL14469193

SCHEMBL14469193

C=C(N)/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccccc3S(=O)(=O)N3CCCC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL14469235 0.87 CNR1 (0.45) POLBALDH1A1SMN1; SMN2KMT2ACNR1
SCHEMBL14469188 0.86 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL14469586 0.85 CNR1 (0.41) POLBALDH1A1TSHRLMNAMAPK1
SCHEMBL14469583 0.83 POLB (0.53) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL14469364 0.82 CYP2C19 (0.46) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL14469200 0.82 POLB (0.46) POLBALDH1A1LMNAMAPK1CNR1
SCHEMBL14469294 0.80 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL14469177 0.80 MEN1 (0.44) ALDH1A1SMN1; SMN2TSHRLMNAMAPK1
SCHEMBL14469172 0.80 EPHX2 (0.49) KMT2AMEN1
SCHEMBL14469183 0.79 ALDH1A1 (0.39) POLBALDH1A1SMN1; SMN2TSHRLMNA

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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