SCHEMBL30836802

SCHEMBL30836802

c1ccc(C(SC2CCN(CC3CC3)CC2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38

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
SCHEMBL29174467 0.83 CHRNA7 (0.42) CHRM2CHRM1CHRM3UBE2MDCUN1D1
SCHEMBL29174459 0.80 DRD2 (0.54) SIGMAR1
SCHEMBL30836892 0.78 SLC6A1 (0.41) CHRM2CHRM1CHRM3
SCHEMBL29174447 0.77 CHRM3 (0.44) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL30836860 0.77 SIGMAR1 (0.41) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL29174469 0.74 ATM (0.45) SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL29174475 0.73 KDM1A (0.41) CHRM3
SCHEMBL29174463 0.69 HRH1 (0.50) SIGMAR1HTR2C
SCHEMBL10268327 0.69 SLC18A3 (0.61) SIGMAR1
SCHEMBL7365667 0.66 DRD2 (0.50) CCR1SIGMAR1HTR2AHTR2CHTR2B

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-118324715-A Compounds, compositions, and methods of use thereof 艾勒维生技公司 2024-07-12 CN disclosed
CN-117750962-A Compounds, compositions, and methods of use thereof 艾勒维生技公司 2024-03-22 CN disclosed