SCHEMBL7285155

SCHEMBL7285155

O=C(O)CN1CCC(CCCCCC2CCNCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 10/20 0.55
GNAO1 P09471 2/20 0.48
GNAI3 P08754 1/20 0.46
GNAI1 P63096 1/20 0.46
F2R P25116 2/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
SLC6A1 P30531 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRB2 P47870 2/20 0.40
SLC6A12 P48065 2/20 0.40
SLC6A11 P48066 2/20 0.40
SLC6A13 Q9NSD5 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRR1 P24046 1/20 0.40
GABRA4 P48169 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL6069474 0.80 PKM (0.47) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL7287283 0.79 ITGB3 (0.65) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL7452238 0.78 ITGB3 (0.63) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL24754066 0.78 MAPT (0.47) GNAO1GNAI3GNAI1
SCHEMBL17440475 0.78 ITGB3 (0.67) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL3087409 0.78 GNAI3 (0.45) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL7276429 0.77 ITGB3 (0.70) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL8473840 0.77 ITGB3 (0.42) ITGB3ITGA2BGNAO1SLC6A1GABRA5
Hydrochloric Acid SCHEMBL29119874 0.76 ITGB3 (0.65) ITGB3ITGA2BGNAO1GNAI3GNAI1
SCHEMBL6621587 0.76 ITGB3 (0.46) ITGB3ITGA2BGNAO1GNAI3GNAI1

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
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP claimed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed