SCHEMBL28101030

SCHEMBL28101030

CC[C@H](N)[CH]c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RELA Q04206 1/20 0.35
EPHX1 P07099 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL2332472 0.76 LMNA (0.39) HTR2ALMNACYP2A6MEN1KMT2A
SCHEMBL314557 0.74 HTR2A (0.41) HTR2ALMNAMEN1KMT2ARELA
SCHEMBL7572963 0.73 HTR2A (0.48) HTR2ASLC6A2TAAR1MAOASLC6A4
SCHEMBL10497155 0.73 LMNA (0.46) HTR2ALMNAMEN1KMT2ARELA
SCHEMBL8007285 0.72 HTR2A (0.41) HTR2AMAOALMNACYP2A6EPHX1
SCHEMBL14910835 0.71 LMNA (0.45) HTR2ATAAR1LMNAMEN1KMT2A
SCHEMBL28771427 0.70 MEN1 (0.48) MAOAMEN1KMT2A
Styrene SCHEMBL3014787 0.70 ALDH1A1 (0.58) HTR2ASLC6A2TAAR1MAOASLC6A4
SCHEMBL27839122 0.70 HTR2A (0.46) HTR2ASLC6A2TAAR1MAOASLC6A4
SCHEMBL27293430 0.70 LMNA (0.34) HTR2ASIGMAR1LMNAMEN1KMT2A

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
CN-103826661-B Novel binding agent-drug conjugates (ADCs) and uses thereof 西雅图基因公司 2019-03-05 CN disclosed
CN-106117312-A New bonding agent drug conjugate (ADC) and application thereof 西雅图基因公司 2016-11-16 CN disclosed