SCHEMBL25113273

SCHEMBL25113273

N#CB1CCC(N2CCC(C(=O)O)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.32
▸ NOTUM Q6P988 2/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31

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
SCHEMBL24127614 0.79 RAB9A (0.32) —
SCHEMBL1978680 0.78 ALDH1A1 (0.44) ALDH1A1HTR2AHRH1HTR2BHTR2C
Hydrochloric Acid SCHEMBL23293911 0.76 ALDH1A1 (0.47) ALDH1A1HTR2AHRH1HTR2BHTR2C
SCHEMBL30226610 0.74 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ECYP2C19LMNA
SCHEMBL3273017 0.74 OGFRL1 (0.46) ALDH1A1TSHRKDM4ECYP2C19LMNA
SCHEMBL19562614 0.72 GPR119 (0.35) —
SCHEMBL321188 0.72 OGFRL1 (0.48) ALDH1A1KDM4EOGFRL1
Hydrochloric Acid SCHEMBL4151575 0.72 ALDH1A1 (0.49) ALDH1A1TSHRKDM4ECYP2C19LMNA
SCHEMBL4155085 0.69 TSHR (0.61) ALDH1A1HTR2AHRH1HTR2BHTR2C
SCHEMBL31334651 0.69 CHRM1 (0.45) ALDH1A1LMNACHRM1L3MBTL1MAPT

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
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 — — EP disclosed
EP-3788049-B1 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2023-03-29 — — EP disclosed
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