SCHEMBL30005824

SCHEMBL30005824

c1ccc(CCCc2cc3ccccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HRH3 Q9Y5N1 1/20 0.51
IDO1 P14902 2/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
GPR84 Q9NQS5 1/20 0.47

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
SCHEMBL6860219 0.91 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1B
SCHEMBL3195577 0.89 LOXL2 (0.58) LOXL2HRH3IDO1MTNR1AMTNR1B
SCHEMBL25444786 0.83 GPR84 (0.45) HRH3GPR84
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1B
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1B
SCHEMBL4075676 0.81 HRH3 (0.52) LOXL2HRH3IDO1
SCHEMBL28335219 0.81 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1B
SCHEMBL2071314 0.80 LOXL2 (0.56) LOXL2HRH3IDO1MTNR1AMTNR1B
SCHEMBL3193911 0.80 BCHE (0.56) LOXL2HRH3MTNR1AMTNR1B
SCHEMBL6026168 0.80 LOXL2 (0.56) LOXL2HRH3MTNR1AMTNR1B

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-111559974-B Seven-membered ring fused cyclopenta [ b ] indole derivative and synthesis method and application thereof 华东师范大学 2022-10-25 CN disclosed