SCHEMBL8322846

SCHEMBL8322846

CCN(C(=O)Nc1ccccc1Cl)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ABCC1 P33527 1/20 0.48
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL23699903 0.78 ALDH1A1 (0.71) GAAALDH1A1UBE2MDCUN1D1KDM4E
SCHEMBL9001748 0.77 TSHR (0.68) ALDH1A1L3MBTL1MAPTSMN1; SMN2SLC6A9
SCHEMBL13911220 0.75 SMN1; SMN2 (0.50) NPC1CYP2C19CYP1A2CYP3A4GAA
SCHEMBL16599594 0.75 ABCC1 (0.54) NPC1RAB9ACYP2C19CYP1A2ALDH1A1
SCHEMBL1685099 0.73 CCR5 (0.57) NPC1RAB9AALDH1A1UBE2MDCUN1D1
SCHEMBL27266162 0.73 PPARG (0.57) NPC1RAB9ACYP2C19CYP1A2CYP3A4
SCHEMBL13900756 0.72 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2ABCC1TSHRLMNA
SCHEMBL10720319 0.71 L3MBTL1 (0.60) CYP2C19CYP1A2CYP3A4GAAALDH1A1
SCHEMBL9262963 0.71 RAB9A (0.60) NPC1RAB9ACYP2C19CYP1A2ALDH1A1
SCHEMBL9261671 0.71 UBE2M (0.59) NPC1RAB9ACYP2C19ALDH1A1UBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1060475-C Process for preparing 1-aryl-4-carbamoyl-tetrazolinones BAYER AG (DE) 2001-01-10 CN disclosed
US-5877323-A Process for preparing 1-aryl-4-carbamoyl-tetrazolinones BAYER AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
US-5874586-A Process for preparing 1-aryl-4-carbamoyl-tetrazolinones BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
CN-1153777-A Process for preparing 1-aryl-4-carbamoyl-tetrazolinones BAYER AG (DE) 1997-07-09 CN disclosed