SCHEMBL9634813

SCHEMBL9634813

O=C(C1CCN(Cc2ccccc2)CC1)N1Cc2ccccc2C1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
TSHR P16473 1/20 0.74
KMT2A Q03164 1/20 0.74
KDM4E B2RXH2 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
TP53 P04637 1/20 0.59
FAAH O00519 1/20 0.59
POLB P06746 1/20 0.58

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
Hydrochloric Acid SCHEMBL9634332 0.99 MEN1 (0.72) MEN1TSHRKMT2AKDM4ETDP1
SCHEMBL10414098 0.92 KDM4E (0.73) MEN1TSHRKMT2AKDM4ETDP1
SCHEMBL2793889 0.84 KMT2A (0.77) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL10414144 0.82 KDM4E (0.61) MEN1TSHRKMT2AKDM4ETDP1
SCHEMBL5080239 0.82 KMT2A (0.78) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL18828716 0.82 KMT2A (0.77) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL8916029 0.82 ALDH1A1 (0.73) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL8920814 0.81 KMT2A (0.75) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL26131899 0.80 KEAP1 (0.59) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL1519223 0.80 MEN1 (0.69) MEN1TSHRKMT2AFAAH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096900-A Antidepressants, anxiolytic agents SYNTHELABO (FR) 1992-03-17 US disclosed
US-5081128-A Antidepressants, anxiolytic agents SYNTHELABO (FR) 1992-01-14 US disclosed