SCHEMBL25969437

SCHEMBL25969437

COc1ccc2[nH]c(I)c(CCI)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.64
MTNR1B P49286 4/20 0.64
TSHR P16473 2/20 0.64
NQO2 P16083 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 7/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GFER P55789 1/20 0.54
HTR6 P50406 5/20 0.54
HTR1D P28221 4/20 0.54
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 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
SCHEMBL8946961 0.87 HTR6 (0.72) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL25969475 0.80 TSHR (0.56) MTNR1AMTNR1BTSHRNQO2CYP1A2
Iodomelatonin SCHEMBL163451 0.79 MTNR1A (1.00) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL29409541 0.76 ALDH1A1 (0.80) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL4756887 0.76 ALDH1A1 (1.00) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL25969440 0.74 TSHR (0.50) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL8946919 0.74 MTNR1A (0.78) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL4219487 0.73 MAPT (0.53) MTNR1AMTNR1BTSHRNQO2CYP1A2
SCHEMBL2597652 0.72 ALDH1A1 (1.00) MTNR1AMTNR1BTSHRALDH1A1KDM4E
SCHEMBL29391519 0.72 ALDH1A1 (1.00) MTNR1AMTNR1BTSHRALDH1A1KDM4E

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-2023150547-A2 PSYCHEDELIC COMPOUNDS AND THEIR THERAPEUTIC USES CAAMTECH, INC. (US) 2023-08-10 WO disclosed