SCHEMBL29282369

SCHEMBL29282369

Cc1ccc(N2CCNCC2C)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.45
▸ HTR2C P28335 17/20 0.43
▸ HTR2B P41595 11/20 0.43
▸ HTR2A P28223 9/20 0.43
▸ LATS1 O95835 1/20 0.39

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
SCHEMBL29282366 1.00 RAD52 (0.45) RAD52HTR2CHTR2BHTR2ALATS1
SCHEMBL29282436 0.84 HTR2C (0.48) RAD52HTR2CHTR2BHTR2ALATS1
SCHEMBL29282431 0.84 HTR2C (0.48) RAD52HTR2CHTR2BHTR2ALATS1
SCHEMBL5633164 0.81 HTR2C (0.52) RAD52HTR2CHTR2BHTR2ALATS1
SCHEMBL5632457 0.81 HTR2C (0.52) RAD52HTR2CHTR2BHTR2ALATS1
SCHEMBL5631112 0.81 HTR2C (0.52) RAD52HTR2CHTR2BHTR2ALATS1
Hydrochloric Acid SCHEMBL5633050 0.79 HTR2C (0.51) RAD52HTR2CHTR2BHTR2ALATS1
Hydrochloric Acid SCHEMBL5633046 0.79 HTR2C (0.51) RAD52HTR2CHTR2BHTR2ALATS1
SCHEMBL5631556 0.79 DRD2 (0.55) HTR2CHTR2BHTR2A
SCHEMBL30066000 0.79 DRD2 (0.55) HTR2CHTR2BHTR2A

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-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 — — CN disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 — — CN disclosed
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