SCHEMBL29588372

SCHEMBL29588372

OC1(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.53
OPRL1 P41146 5/20 0.53
OPRM1 P35372 3/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A2 P23975 1/20 0.49
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM1A O60341 1/20 0.46
DRD2 P14416 1/20 0.44
P2RY14 Q15391 1/20 0.43
CCR1 P32246 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20455678 0.98 SLC6A3 (0.56) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL24394078 0.96 OPRL1 (0.53) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL18282707 0.91 OPRL1 (0.55) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL24398040 0.90 P2RY14 (0.49) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL3127047 0.82 OPRL1 (0.49) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL24397813 0.82 OPRL1 (0.49) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL653874 0.82 DRD2 (0.59) SLC6A3OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL23578391 0.81 DRD2 (0.58) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL9034707 0.81 OPRL1 (0.48) SLC6A3OPRL1OPRM1OPRD1OPRK1
SCHEMBL24397808 0.81 OPRL1 (0.44) SLC6A3OPRL1OPRM1OPRD1OPRK1

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-4237408-A1 ITACONIC ACID DERIVATIVES Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
WO-2022090723-A1 ITACONIC ACID DERIVATIVES SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed