SCHEMBL14469474

SCHEMBL14469474

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cc(F)ccc3F)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR6 P46095 4/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SIGMAR1 Q99720 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
SCHEMBL14469475 0.86 ALDH1A1 (0.47) MTNR1BALDH1A1TDP1KDM4EMEN1
SCHEMBL14469115 0.85 MEN1 (0.49) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL14469186 0.83 ALDH1A1 (0.47) MTNR1BALDH1A1TDP1KDM4EMEN1
SCHEMBL14469551 0.83 KDM4E (0.48) MTNR1BALDH1A1TDP1KDM4EMEN1
SCHEMBL14469569 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL14469451 0.81 TSHR (0.46) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL14469560 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL14469170 0.81 KDM4E (0.48) MTNR1BALDH1A1KDM4EMEN1KMT2A
SCHEMBL14469477 0.81 KMT2A (0.58) ALDH1A1KDM4EMEN1KMT2AALOX15
SCHEMBL14469473 0.81 KMT2A (0.43) ALDH1A1KDM4EMEN1KMT2AALOX15

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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