SCHEMBL31406207

SCHEMBL31406207

CN1[C@@H]2CCC[C@H]1[C@H]1[C@@H]2N1c1ccc2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
P2RX3 P56373 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
LTA4H P09960 2/20 0.37
CYP2A6 P11509 2/20 0.37

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
SCHEMBL2254433 0.72 OPRM1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2254436 0.72 OPRM1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6840540 0.71 KCNH2 (0.46) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL31406180 0.69 ADRB1 (0.46) KCNH2AHRGAAMAPT
SCHEMBL3340549 0.68 LTA4H (0.48) LTA4HCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL949366 0.68 HTR3A (0.56) GAAHTR7NPC1MAPTRAB9A
SCHEMBL31406181 0.68 CYP1A2 (0.46)
SCHEMBL3719392 0.67 HTR7 (0.47) LTA4HCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL15515677 0.67 KCNH2 (0.48) KCNH2GABRPGABRDGABRA1GABRB1
SCHEMBL3191249 0.67 KMT2A (0.42) P2RX3GAAHTR7EPHX1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025014719-A2 TROPANE COMPOUNDS FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-16 WO disclosed