SCHEMBL14469576

SCHEMBL14469576

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3c(F)cccc3[N+](=O)OC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.40
▸ POLB P06746 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ ALOX15 P16050 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACHE P22303 1/20 0.34

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
SCHEMBL14469559 0.83 KDM4E (0.46) KDM4EPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL14469563 0.81 KDM4E (0.37) KDM4EPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL14469555 0.81 SMN1; SMN2 (0.48) KDM4EPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL14469115 0.78 MEN1 (0.49) KDM4EPOLBTSHRALDH1A1ALOX15
SCHEMBL14469551 0.77 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1ALOX15TDP1
SCHEMBL14469477 0.77 KMT2A (0.58) KDM4EPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL14469475 0.77 ALDH1A1 (0.47) KDM4EPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL14469365 0.76 KDM4E (0.48) KDM4EPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL14469474 0.76 MTNR1B (0.49) KDM4ESMN1; SMN2TSHRALDH1A1ALOX15
SCHEMBL14469560 0.76 ALDH1A1 (0.47) KDM4ESMN1; SMN2TSHRALDH1A1ALOX15

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
Send feedback