SCHEMBL11138166

SCHEMBL11138166

O=C(O)/C=C(\C(=O)O)N1CCC2(CC1)CN(c1ccc(F)cc1)c1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPY5R Q15761 9/20 0.40
P2RY1 P47900 5/20 0.37
NOTUM Q6P988 1/20 0.36
FFAR1 O14842 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL11138170 1.00 SLC18A3 (0.41) SLC18A3SIGMAR1NPY5RP2RY1NOTUM
Maleic Acid SCHEMBL11095653 0.77 P2RY1 (0.45) SLC18A3SIGMAR1NPY5RP2RY1NOTUM
Fumaric Acid SCHEMBL11095659 0.77 P2RY1 (0.45) SLC18A3SIGMAR1NPY5RP2RY1NOTUM
SCHEMBL11139159 0.77 PDE4B (0.38) NPY5R
SCHEMBL11139157 0.77 PDE4B (0.38) NPY5R
SCHEMBL11095657 0.76 SLC18A3 (0.43) SLC18A3SIGMAR1NPY5RP2RY1NOTUM
SCHEMBL11085101 0.75 AKT1 (0.49) SLC18A3SIGMAR1NPY5RP2RY1NOTUM
Bromide SCHEMBL11090547 0.74 AKT1 (0.48) SLC18A3SIGMAR1NPY5RP2RY1NOTUM
SCHEMBL11096094 0.73 RIPK1 (0.49) SIGMAR1NPY5RUSP2ALDH1A1HPGD
Maleic Acid SCHEMBL11088205 0.73 SIGMAR1 (0.72) SLC18A3SIGMAR1USP2TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345081-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1982-08-17 US claimed
US-4379932-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4209625-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-06-24 US disclosed