SCHEMBL7440844

SCHEMBL7440844

CCCCN(C(=O)CN1CCC(=O)CC1)c1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
GPX4 P36969 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
POLB P06746 1/20 0.34
ELANE P08246 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
SCHEMBL7291683 0.85 SIGMAR1 (0.55) MEN1KMT2AALDH1A1KDM4ETP53
SCHEMBL7435696 0.82 NPC1 (0.51) MEN1KMT2AALDH1A1TP53SIGMAR1
SCHEMBL7446241 0.79 DRD4 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7279133 0.74 ALDH1A1 (0.63) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL7291916 0.74 SIGMAR1 (0.44) ALDH1A1TP53SIGMAR1OPRM1CHRM2
SCHEMBL7288766 0.72 TP53 (0.50) MEN1KMT2AALDH1A1TP53TSHR
SCHEMBL7282050 0.71 HRH1 (0.44) ALDH1A1KDM4ESIGMAR1OPRM1CHRM2
SCHEMBL11507051 0.71 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL7274382 0.71 ALDH1A1 (0.70) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL7440849 0.70 ELANE (0.35) ALDH1A1KDM4ETSHRCHRM2CHRM1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed