SCHEMBL21777694

SCHEMBL21777694

C=CCC(=O)CC1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRB2 P47870 2/20 0.56
SLC6A12 P48065 2/20 0.56
SLC6A11 P48066 2/20 0.56
SLC6A13 Q9NSD5 2/20 0.56
GABRA1 P14867 1/20 0.56
GABRR1 P24046 1/20 0.56
GABRA4 P48169 1/20 0.56
EPHX1 P07099 2/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CPN1 P15169 2/20 0.31
CPB2 Q96IY4 2/20 0.31
MAOB P27338 1/20 0.31
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL21777693 1.00 SLC6A1 (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL526440 0.78
SCHEMBL28224995 0.73 SLC6A1 (0.58) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24478321 0.72
SCHEMBL2450833 0.72
SCHEMBL374930 0.72
SCHEMBL24962406 0.71
Hydrochloric Acid SCHEMBL21774701 0.71 SLC6A1 (0.96) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL24690885 0.71
Hydrochloric Acid SCHEMBL22655757 0.71 SLC6A1 (0.96) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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
EP-3843727-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
EP-3843728-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Morphic Therapeutic, Inc. (US) 2021-07-07 EP disclosed
WO-2020047207-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTICS, INC. (US) 2020-03-05 WO disclosed
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed