SCHEMBL8553355

SCHEMBL8553355

O=C(O)Nc1ccccc1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.53
HSD17B10 Q99714 1/20 0.48
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
HTR1A P08908 2/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CHRM3 P20309 1/20 0.45
JAK3 P52333 1/20 0.44
MAP4K1 Q92918 1/20 0.43
HTR6 P50406 1/20 0.43
CHEK1 O14757 1/20 0.43
RIPK1 Q13546 1/20 0.43

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
SCHEMBL28600460 0.88 CHRM3 (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27561971 0.86 HTR2C (0.51) HTR2CHSD17B10SLC6A2SLC6A4SLC6A3
SCHEMBL5599211 0.85 HSD17B10 (0.51) HSD17B10RIPK1
Hydrochloric Acid SCHEMBL7669676 0.84 HTR2C (0.53) HTR2CHSD17B10SLC6A2SLC6A4SLC6A3
SCHEMBL5133970 0.83 HSD17B10 (0.50) HSD17B10RIPK1
SCHEMBL7676995 0.83 HTR2C (0.53) HTR2CHSD17B10SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL11161743 0.82 HSD17B10 (0.49) HSD17B10RIPK1
SCHEMBL5660577 0.82 MDM4 (0.50) HTR2CHSD17B10SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7672523 0.82 ALDH1A1 (0.53) HTR2CHSD17B10SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7666631 0.82 HTR2C (0.54) HTR2CHSD17B10SLC6A2SLC6A4SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497303-B1 Carbamic acid derivatives and method for preparing the same KYORIN SEIYAKU KK (JP) 1998-05-27 EP disclosed
US-5300515-A Cognition activators for brain disorders; alzheimer*s disease KYORIN PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
EP-0497303-A2 Carbamic acid derivatives and method for preparing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed