SCHEMBL9026972

SCHEMBL9026972

COc1ccc(Cl)cc1C(N)c1occ2cc(C(C)C)c(C)cc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC9A1 P19634 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
ADORA2A P29274 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
TSHR P16473 1/20 0.30
STAT3 P40763 1/20 0.30
RAB9A P51151 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL9025568 0.80 METAP2 (0.39) LPAR1SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL9026705 0.77 SLC6A2 (0.37) LPAR1SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL9026962 0.77 LPAR1 (0.37) LPAR1SLC6A2SLC6A4SLC9A1ALDH1A1
SCHEMBL9025682 0.77 HTR2C (0.36) SLC9A1POLBMAPTSMN1; SMN2NPC1
SCHEMBL9025817 0.75 LPAR1 (0.36) LPAR1SLC6A2SLC6A4ALDH1A1HPGD
SCHEMBL9026968 0.75 HTT (0.38) LPAR1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL9025107 0.74 OPRK1 (0.35) ALDH1A1HPGDPOLBGAAMAPT
SCHEMBL9024534 0.74 POLB (0.32) SLC6A2SLC6A4ALDH1A1HPGDPOLB
SCHEMBL9027103 0.74 ACHE (0.35) LPAR1SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL9032014 0.71 MAPT (0.36) SLC6A4SLC9A1POLBMAPTNPC1

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
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed