SCHEMBL28662452

SCHEMBL28662452

Cc1c(Cc2ccccc2)cccc1C(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CALM1 P0DP23 1/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6547271 0.86 GABRA1 (0.41) HTR2AHPGDALDH1A1CALM1BCL2
SCHEMBL8322110 0.85 HTR2A (0.47) HTR2ASLC6A2TAAR1HPGDALDH1A1
Hydrochloric Acid SCHEMBL28430480 0.84 HTR2A (0.46) HTR2ASLC6A2TAAR1HPGDALDH1A1
SCHEMBL3842673 0.83 HTR2A (0.37) HTR2ASLC6A2TAAR1HPGDALDH1A1
Hydrochloric Acid SCHEMBL1752738 0.82 HTR2A (0.36) HTR2ASLC6A2TAAR1HPGDALDH1A1
Ammonia Solution, Strong SCHEMBL27927921 0.81 CNR2 (0.40) HTR2ACALM1BCL2BCL2L1TSHR
SCHEMBL7861886 0.79 CALM1 (0.52) HTR2AMAPTNPSR1CALM1BCL2
SCHEMBL20342759 0.78 GABRA1 (0.45) ALDH1A1MAPT
Chloromethane SCHEMBL27508976 0.76 CALM1 (0.44) HTR2AHPGDNPSR1CALM1BCL2
SCHEMBL1276090 0.75 CALM1 (0.48) HTR2AHPGDNPSR1CALM1BCL2

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
CN-108148394-B Storage-stable one-component polyurethane prepregs from polyurethane compositions and moldings produced therefrom 赢创运营有限公司 2021-12-28 CN disclosed