SCHEMBL9058434

SCHEMBL9058434

ClCCC(CN1CCCCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 4/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2C9 P11712 2/20 0.42
KCNA5 P22460 2/20 0.42

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
SCHEMBL7790826 0.79 ALDH1A1 (0.46) NTSR1MEN1KMT2AALDH1A1HTT
SCHEMBL3589625 0.77 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HTTMITF
SCHEMBL11927945 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HTTMITF
SCHEMBL3594196 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HTTMITF
SCHEMBL30101423 0.76 ALDH1A1 (0.53) NTSR1MEN1KMT2AALDH1A1HTT
SCHEMBL13039130 0.75 ALDH1A1 (0.43) NTSR1MEN1KMT2AALDH1A1HTT
SCHEMBL13039127 0.75 ALDH1A1 (0.50) KMT2AALDH1A1HTTMITFRAB9A
SCHEMBL13039121 0.75 ALDH1A1 (0.43) NTSR1MEN1KMT2AALDH1A1HTT
SCHEMBL13039128 0.75 ALDH1A1 (0.50) KMT2AALDH1A1HTTMITFRAB9A
SCHEMBL4881311 0.75 TSHR (0.43) RAB9ASMN1; SMN2CYP2D6TSHRCYP1A2

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-1996012721-A1 INDOLE DERIVATIVES USEFUL AS SEROTONERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-02 WO disclosed