SCHEMBL29196462

SCHEMBL29196462

c1ccc(CCC2CCCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 1/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL31372334 1.00 DRD4 (0.53) DRD4SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL11242354 0.95 RAB9A (0.55) DRD4SLC6A2SLC6A4SLC6A3RAB9A
SCHEMBL26095542 0.89 DRD4 (0.58) DRD4SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL859158 0.84 RAB9A (0.52) RAB9ASMN1; SMN2MGLLMEN1LMNA
SCHEMBL10854141 0.82 MEN1 (0.46) DRD4RAB9ASMN1; SMN2MGLLMEN1
SCHEMBL10856579 0.82 MEN1 (0.46) DRD4RAB9ASMN1; SMN2MGLLMEN1
SCHEMBL28263198 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3RAB9ASMN1; SMN2
SCHEMBL12817600 0.81 HPGD (0.46) DRD4RAB9ASMN1; SMN2MEN1LMNA
SCHEMBL10853382 0.81 MEN1 (0.47) RAB9ASMN1; SMN2MGLLMEN1LMNA
SCHEMBL11249479 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3RAB9ASMN1; SMN2

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
CN-117683060-A Metallocene compound ligand, preparation method and application 中国石油天然气股份有限公司 2024-03-12 CN disclosed