SCHEMBL14469555

SCHEMBL14469555

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3ccc(OCc4c(F)cccc4Cl)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ POLB P06746 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ LDHA P00338 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 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
SCHEMBL14469449 0.84 KMT2A (0.53) SMN1; SMN2TP53KMT2AKDM4EPOLB
SCHEMBL14469452 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TP53KMT2AKDM4ENPC1
SCHEMBL14469568 0.83 S1PR5 (0.52) SMN1; SMN2TP53KMT2ARAB9AALDH1A1
SCHEMBL14469456 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TP53NPSR1KMT2AKDM4E
SCHEMBL14456777 0.83 SMN1; SMN2 (0.56) SMN1; SMN2TP53NPSR1KMT2AKDM4E
SCHEMBL14469562 0.82 L3MBTL1 (0.47) SMN1; SMN2TP53NPSR1KMT2AKDM4E
SCHEMBL14469554 0.82 SMN1; SMN2 (0.40) SMN1; SMN2TP53KMT2AKDM4EPOLB
SCHEMBL14469477 0.81 KMT2A (0.58) SMN1; SMN2KMT2AKDM4EPOLBTSHR
SCHEMBL14469475 0.81 ALDH1A1 (0.47) SMN1; SMN2KMT2AKDM4EPOLBTSHR
SCHEMBL14469553 0.81 KDM4E (0.61) SMN1; SMN2TP53KMT2AKDM4EPOLB

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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