SCHEMBL25640466

SCHEMBL25640466

COc1ccc(CN2CCN[C@H](c3ccccc3C(C)C)C2)c2c1OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.37
OPRD1 P41143 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRK1 P41145 1/20 0.35
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KCNJ1 P48048 5/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL25640410 0.95 TACR1 (0.38) TACR1OPRD1CYP1A2CHRM2SLC6A4
SCHEMBL25478885 0.95 TACR1 (0.38) TACR1OPRD1CYP1A2CHRM2SLC6A4
SCHEMBL25478847 0.84 TACR1 (0.40) TACR1OPRD1CYP1A2CHRM2SLC6A4
SCHEMBL25640464 0.84 TACR1 (0.47) TACR1CHRM2KDM4EKMT2APDE10A
SCHEMBL30287308 0.83 LMNA (0.41) LMNA
SCHEMBL25195989 0.83 LMNA (0.41) LMNA
SCHEMBL25640415 0.83 LMNA (0.41) LMNA
SCHEMBL23943614 0.80 KMT2A (0.46) KDM4EALDH1A1LMNAKMT2A
SCHEMBL30034375 0.80 KMT2A (0.46) KDM4EALDH1A1LMNAKMT2A
SCHEMBL25192315 0.80 KMT2A (0.46) KDM4EALDH1A1LMNAKMT2A

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
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed