SCHEMBL9681282

SCHEMBL9681282

CN1CCN(C(C)(C)C(=O)c2ccc(N(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
AVPR2 P30518 1/20 0.40
AVPR1A P37288 1/20 0.40
SLC18A3 Q16572 1/20 0.40
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9679422 0.86 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL10941271 0.83 SMN1; SMN2 (0.49) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL9679558 0.83 SMN1; SMN2 (0.65) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL9681216 0.83 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL10385895 0.81 POLB (0.58) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL9679862 0.81 SMN1; SMN2 (0.54) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL9679479 0.80 POLB (0.46) ALDH1A1HPGDMAPTMAPK1TSHR
SCHEMBL9679876 0.79 NPC1 (0.56) ALDH1A1MAPTMAPK1TSHRSMN1; SMN2
SCHEMBL4415902 0.78 TSHR (0.44) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL9681607 0.78 ALDH1A1 (0.71) ALDH1A1HPGDMAPTMAPK1TSHR

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed