SCHEMBL31078751

SCHEMBL31078751

CN1CCN(c2ccc(F)c(C(=O)O)n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PARP1 P09874 1/20 0.47
HTR3A P46098 7/20 0.45
HRH4 Q9H3N8 5/20 0.45
HTR3E A5X5Y0 4/20 0.45
HTR3B O95264 4/20 0.45
HTR3D Q70Z44 4/20 0.45
HTR3C Q8WXA8 4/20 0.45
HRH3 Q9Y5N1 4/20 0.45
CYP1A2 P05177 1/20 0.45
THPO P40225 1/20 0.45
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
UCHL3 P15374 1/20 0.41

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
SCHEMBL20854390 0.82 KDM4E (0.49) KDM4EALDH1A1PARP1HTR3AHRH4
SCHEMBL5336736 0.82 HTR3A (0.54) KDM4EALDH1A1PARP1HTR3AHRH4
Trifluoroacetic Acid SCHEMBL31078693 0.82 HRH4 (0.51) HSD17B14KDM4EALDH1A1PARP1HTR3A
SCHEMBL9317415 0.73 PRKAB2 (0.47) KDM4EALDH1A1PARP1HTR3AHRH4
SCHEMBL31078705 0.73 KDM4E (0.42) KDM4EALDH1A1TP53LMNA
SCHEMBL2638000 0.72 HTR3A (0.58) HSD17B14KDM4EALDH1A1PARP1HTR3A
Trifluoroacetic Acid SCHEMBL8801749 0.72 HRH4 (0.49) KDM4EALDH1A1PARP1HTR3AHRH4
Hydrochloric Acid SCHEMBL3466386 0.71 HTR3A (0.57) HSD17B14KDM4EALDH1A1PARP1HTR3A
Trifluoroacetic Acid SCHEMBL3569527 0.71 SIRT6 (0.51) KDM4EALDH1A1HRH4HRH3MAPT
SCHEMBL12701374 0.71 HTR3A (0.55) KDM4EALDH1A1HTR3AHRH4HTR3E

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-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed