SCHEMBL30595877

SCHEMBL30595877

O=C(Oc1cccc(F)c1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
REN P00797 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR1A P08908 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
FAAH O00519 2/20 0.48
MGLL Q99685 2/20 0.48
ALOX15 P16050 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CYP1A2 P05177 1/20 0.47
EPHX1 P07099 1/20 0.47
HSD17B10 Q99714 1/20 0.47
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
SCHEMBL30595861 1.00 USP2 (0.49) USP2CYP3A4RENALDH1A1CYP2C9
SCHEMBL28324288 0.86 TSHR (0.59) USP2CYP3A4ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL31112011 0.84 MLNR (0.50) USP2CYP3A4RENALDH1A1CYP2C9
SCHEMBL28786999 0.82 LMNA (0.53) RENCYP2C9MGLLCYP1A2EPHX1
SCHEMBL21650810 0.82 FAAH (0.59) USP2CYP3A4ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL4599565 0.82 EPHX1 (0.68) CYP2C9SMN1; SMN2FAAHCYP1A2EPHX1
SCHEMBL30595900 0.82 ADRB1 (0.55) MGLLEPHX1HSD17B10TSHR
SCHEMBL27627256 0.81 ALOX15 (0.56) ALDH1A1CYP2C9SMN1; SMN2HTR1ASLC6A2
SCHEMBL2583030 0.81 GAA (0.61) USP2CYP3A4ALDH1A1SMN1; SMN2MGLL
SCHEMBL30865723 0.77 TRPV1 (0.46) USP2CYP3A4ALDH1A1CYP2C9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
CN-116710453-A Kinase inhibitors and uses thereof 璧辰医药技术股份有限公司 2023-09-05 CN disclosed