SCHEMBL23710030

SCHEMBL23710030

CC[C@@H]1CN(C2CCOCC2)CCO1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.47
▸ HTR4 Q13639 2/20 0.38
▸ EPHA2 P29317 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CCR2 P41597 1/20 0.32

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
SCHEMBL22943931 0.91 HRH3 (0.47) HRH3HTR4KCNH2CCR2
SCHEMBL22944237 0.91 HRH3 (0.47) HRH3HTR4KCNH2CCR2
SCHEMBL22944238 0.91 HRH3 (0.47) HRH3HTR4KCNH2CCR2
SCHEMBL7778115 0.86 HRH3 (0.53) HRH3HTR4EPHA2KDR
SCHEMBL23487053 0.84 HRH3 (0.39) HRH3
SCHEMBL22732611 0.82 HRH3 (0.42) HRH3HTR4EPHA2KDRALDH1A1
SCHEMBL22732727 0.82 HRH3 (0.42) HRH3HTR4EPHA2KDRALDH1A1
SCHEMBL22732893 0.81 HTR4 (0.43) HRH3HTR4EPHA2KDRALDH1A1
Hydrochloric Acid SCHEMBL30133730 0.81 HRH3 (0.41) HRH3HTR4EPHA2KDRALDH1A1
SCHEMBL24171111 0.78 HTR4 (0.43) HRH3HTR4EPHA2KDRALDH1A1

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
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 — — EP disclosed
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