SCHEMBL11092552

SCHEMBL11092552

c1ccc(N2CC3(CCNCC3)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.53
TSHR P16473 3/20 0.47
P2RY1 P47900 1/20 0.45
USP2 O75604 5/20 0.42
CYP2D6 P10635 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 3/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
HIF1A Q16665 1/20 0.40
ADRB1 P08588 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL11094423 0.88 AKT1 (0.49) AKT1TSHRP2RY1USP2CYP2D6
SCHEMBL11094481 0.84 AKT1 (0.46) AKT1TSHRP2RY1USP2CYP2D6
SCHEMBL1300971 0.83 NOTUM (0.46) AKT1P2RY1ADRB1SIGMAR1ADRA2C
SCHEMBL11093426 0.82 ADRB1 (0.48) AKT1P2RY1ADRB1SIGMAR1SLC6A2
Hydrochloric Acid SCHEMBL11090347 0.81 AKT1 (0.54) AKT1TSHRP2RY1ADRA2CNOTUM
Maleic Acid SCHEMBL11095653 0.81 P2RY1 (0.45) AKT1P2RY1ALDH1A1SIGMAR1NOTUM
Fumaric Acid SCHEMBL11095659 0.81 P2RY1 (0.45) AKT1P2RY1ALDH1A1SIGMAR1NOTUM
SCHEMBL13518553 0.79 AKT1 (0.39) AKT1P2RY1SIGMAR1SLC6A2HTR7
SCHEMBL11089304 0.79 AKT1 (0.53) AKT1P2RY1SIGMAR1ADRA2CHTR7
SCHEMBL31707401 0.78 SLC18A3 (0.50) AKT1TSHRP2RY1SIGMAR1NOTUM

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 8 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-4477667-A Spiro[indoline-3,4'-piperidine]s and related compounds AMERICAN HOECHST CORPORATION (US) 1984-10-16 US disclosed
US-4408050-A Spiro(indoline-3,4'-piperidine) and related compounds AMERICAN HOECHST CORPORATION (US) 1983-10-04 US disclosed
US-4379932-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4379933-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4345081-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1982-08-17 US disclosed
US-4307235-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1981-12-22 US disclosed
US-4209625-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1980-06-24 US disclosed