SCHEMBL31020103

SCHEMBL31020103

CC(C)(C)C1c2cc(Br)ccc2CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ABHD6 Q9BV23 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GFER P55789 1/20 0.37
HSD17B3 P37058 1/20 0.36
AKR1C3 P42330 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL20768178 1.00 DPP4 (0.39) DPP4DPP8MEN1KMT2AESR1
SCHEMBL2123936 0.89 CAMK2A (0.43) DPP4DPP8MEN1KMT2AESR1
SCHEMBL31546529 0.89 CAMK2A (0.43) DPP4DPP8MEN1KMT2AESR1
SCHEMBL30997677 0.84 NR1H2 (0.45) DPP4DPP8ESR1ESR2HTR2A
SCHEMBL14575206 0.84 NR1H2 (0.45) DPP4DPP8ESR1ESR2HTR2A
SCHEMBL623843 0.83 DPP4 (0.39) DPP4DPP8KMT2ALMNACYP3A4
SCHEMBL29088742 0.82 SMN1; SMN2 (0.45) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL19638457 0.82 CAMK2A (0.47) DPP4DPP8MEN1KMT2AESR1
SCHEMBL623616 0.82 DPP4 (0.39) DPP4DPP8MEN1KMT2ACYP3A4
SCHEMBL22366344 0.80 MTNR1B (0.48) NPSR1CYP2D6

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-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed