SCHEMBL9872040

SCHEMBL9872040

COc1cccc2c1c1c(n2C)SCC(CN2CC(C)NC(C)C2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SCARB1 Q8WTV0 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9872568 0.86 CHRNA7 (0.43) MEN1KMT2AALDH1A1TP53CYP1A2
SCHEMBL9871319 0.85 CHRNA7 (0.44) SIGMAR1MEN1KMT2AALDH1A1TP53
SCHEMBL9871678 0.82 SIGMAR1 (0.44) SIGMAR1MEN1KMT2ASCARB1ALOX15
SCHEMBL9870767 0.80 MEN1 (0.34) CDK5CDK5R1MEN1KMT2AALOX15
SCHEMBL9870860 0.77 KCNH2 (0.48) MEN1KMT2AALOX15CYP1A2CYP3A4
SCHEMBL9871424 0.68 MAPT (0.40) CDK5CDK5R1MEN1KMT2AALOX15
SCHEMBL9872690 0.66 CYP3A4 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL9870672 0.66 HDAC1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL9872735 0.63 CYP19A1 (0.41) ALDH1A1CYP1A2CYP3A4TSHRMAPK1
SCHEMBL9873935 0.62 KCNH2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6HTR2B

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-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US disclosed