SCHEMBL31054151

SCHEMBL31054151

C[C@@H](N)Cc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
SLC6A2 P23975 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
MAOA P21397 1/20 0.52
CYP2A6 P11509 1/20 0.52
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52
HTR2B P41595 2/20 0.52
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL266931 1.00 HTR2A (0.55) HTR2AHTR2CSLC6A2TAAR1SLC6A4
SCHEMBL31054201 1.00 HTR2A (0.55) HTR2AHTR2CSLC6A2TAAR1SLC6A4
Hydrochloric Acid SCHEMBL1191449 0.98 HTR2A (0.54) HTR2AHTR2CSLC6A2TAAR1SLC6A4
SCHEMBL20495645 0.85 CYP1A2 (0.47) HTR2AHTR2CSIGMAR1CYP1A2CYP2C19
SCHEMBL30119544 0.85 CYP1A2 (0.47) HTR2AHTR2CSIGMAR1CYP1A2CYP2C19
SCHEMBL331127 0.83 GABRA1 (0.54) SIGMAR1CYP1A2CYP2C19CYP2D6CTNNB1
SCHEMBL3681421 0.83 CYP1A2 (0.52) SLC6A4SIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL7528890 0.83 CYP1A2 (0.53) SLC6A4SIGMAR1CYP1A2CYP2C19CYP2D6
SCHEMBL24548553 0.83 CTNNB1 (0.53) CTNNB1
SCHEMBL16449785 0.83 CTNNB1 (0.53) CTNNB1

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-118475195-A Method for preparing perovskite solar cell module by using conjugated chiral amine as nickel oxide modified material 苏州黑冕光电科技有限公司 2024-08-09 CN claimed
CN-118475195-A Method for preparing perovskite solar cell module by using conjugated chiral amine as nickel oxide modified material 苏州黑冕光电科技有限公司 2024-08-09 CN disclosed