SCHEMBL14469113

SCHEMBL14469113

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(OC)c(C)c3C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MTNR1B P49286 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL14469471 0.95 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469552 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469551 0.88 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469479 0.86 CCR5 (0.52) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469468 0.85 KDM4E (0.48) ALDH1A1SMN1; SMN2KDM4ERAB9ALMNA
SCHEMBL14469459 0.85 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469560 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469569 0.80 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469114 0.80 RAB9A (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14469474 0.80 MTNR1B (0.49) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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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