SCHEMBL11354704

SCHEMBL11354704

c1ccc(CN2CCC3NCCc4c3n(c3ccccc43)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TP53 P04637 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ TEAD1 P28347 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL11362481 0.80 HSD17B10 (0.60) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL10836352 0.76 HSD17B10 (0.78) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL10992739 0.75 HSD17B10 (0.76) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL3174932 0.71 HSD17B10 (0.97) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL11192598 0.69 HSD17B10 (0.54) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL28466018 0.69 CHRM2 (0.48) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL11185552 0.68 HPGD (0.38) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL8381134 0.66 HDAC6 (0.50) HSD17B10MEN1KMT2AALDH1A1HTR1A
SCHEMBL10836067 0.65 HSD17B10 (0.50) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL4152125 0.64 HTR1A (0.76) HSD17B10MEN1KMT2AALDH1A1HPGD

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-4277476-A ANTI-ANOXIA AND PSYCHOTROPIC AGENTS SYNTHELABO (FR) 1981-07-07 — — US disclosed
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