SCHEMBL9793417

SCHEMBL9793417

CN1CCN(c2n[nH]c(N)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 9/20 0.62
▸ MAPT P10636 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.57
▸ GFER P55789 2/20 0.57
▸ CHIA Q9BZP6 4/20 0.49
▸ CHIT1 Q13231 3/20 0.49
▸ HRH4 Q9H3N8 4/20 0.49
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL2455907 0.82 GAA (0.69) GAAMAPTALDH1A1GFERCHIA
SCHEMBL9793471 0.80 GAA (0.67) GAAMAPTALDH1A1GFERCHIA
SCHEMBL1994355 0.77 GAA (1.00) GAAMAPTALDH1A1GFERCHIA
SCHEMBL31387185 0.72 GAA (0.56) GAAMAPTALDH1A1GFERCHIA
SCHEMBL27082996 0.71 HRH4 (0.59) HRH4KMT2A
SCHEMBL5032275 0.71 HRH4 (0.78) HRH4
SCHEMBL20628967 0.70 CHIT1 (0.60) GAAMAPTALDH1A1GFERCHIA
SCHEMBL31214493 0.70 GAA (0.63) GAAMAPTALDH1A1GFERCHIA
SCHEMBL26037956 0.68 HRH4 (0.61) HRH4KMT2A
SCHEMBL19127856 0.67 HTR1D (0.39) GAACHIACHIT1

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-5064826-A Analgesic, antiderpressant EGIS GYOGYSZERGYAR (HU) 1991-11-12 — — US disclosed
Send feedback