SCHEMBL21985113

SCHEMBL21985113

CN1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.84
CYP3A4 P08684 5/20 0.74
DPP9 Q86TI2 3/20 0.66
DPP7 Q9UHL4 1/20 0.66

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
SCHEMBL21985114 1.00 DPP4 (0.84) DPP4CYP3A4DPP9DPP7
SCHEMBL24244598 0.88 DPP4 (0.79) DPP4CYP3A4DPP9DPP7
SCHEMBL28434489 0.88 DPP4 (0.79) DPP4CYP3A4DPP9DPP7
SCHEMBL25840236 0.86 DPP4 (0.77) DPP4CYP3A4DPP9DPP7
SCHEMBL4699518 0.85 DPP4 (0.68) DPP4CYP3A4DPP9DPP7
SCHEMBL4699986 0.85 DPP4 (0.68) DPP4CYP3A4DPP9DPP7
SCHEMBL21985104 0.84 DPP4 (0.68) DPP4CYP3A4DPP9DPP7
SCHEMBL21985110 0.84 DPP4 (0.88) DPP4CYP3A4DPP9DPP7
SCHEMBL29142108 0.84 DPP4 (0.68) DPP4CYP3A4DPP9DPP7
SCHEMBL21985109 0.84 DPP4 (0.88) DPP4CYP3A4DPP9DPP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
US-20230203550-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE ABIOCHEM BIOTECHNOLOGY CO., LTD (CN) 2023-06-29 US disclosed
US-20200157587-A1 USE OFSTEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE Abiochem Biotechnology (Group) Co., Ltd. (CN) 2020-05-21 US disclosed
EP-3650537-A1 USE OF STEREOSELECTIVE TRANSAMINASE IN ASYMMETRIC SYNTHESIS OF CHIRAL AMINE Abiochem Biotechnology Co., Ltd. (CN) 2020-05-13 EP disclosed