SCHEMBL31646972

SCHEMBL31646972

CC(c1ccccc1)N1CCN(c2ccnc(Cl)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.64
CYP2D6 P10635 1/20 0.54
TRPV1 Q8NER1 6/20 0.50
MC4R P32245 1/20 0.49
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SORD Q00796 1/20 0.43
ACHE P22303 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
AURKA O14965 1/20 0.42
TRPC5 Q9UL62 1/20 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
SCHEMBL31647041 0.80 CYP2D6 (0.53) OGACYP2D6MC4RKDM4EALDH1A1
SCHEMBL17551216 0.78 OGA (1.00) OGA
SCHEMBL27805031 0.78 SORD (0.66) TRPV1KDM4ENPSR1ALDH1A1LMNA
SCHEMBL31647228 0.76 CYP2D6 (0.51) OGACYP2D6MC4RKDM4ENPSR1
SCHEMBL31646830 0.76 CYP2D6 (0.54) OGACYP2D6MC4RKDM4ENPSR1
SCHEMBL31647064 0.75 CYP2D6 (0.57) OGACYP2D6MC4RKDM4EALDH1A1
SCHEMBL2190955 0.75 HRH4 (0.65) CYP2D6TRPV1ALDH1A1SORD
SCHEMBL29997962 0.75 HRH4 (0.65) CYP2D6TRPV1ALDH1A1SORD
SCHEMBL16226061 0.73 CYP2D6 (1.00) CYP2D6MC4RALDH1A1TRPC5
SCHEMBL6706135 0.73 CYP2D6 (1.00) CYP2D6MC4RALDH1A1TRPC5

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-2025137146-A1 SUBSTITUTED HETEROARYL ANALOGS AND USES THEREOF FOR THE TREATMENT OF HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS MOUKHA CHAFIQ OMAR (US) 2025-06-26 WO disclosed