SCHEMBL29789870

SCHEMBL29789870

COC1CC(C)(C)N(Cc2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AMPD2 Q01433 13/20 0.46
▸ HSD11B1 P28845 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ADRA2A P08913 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 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
SCHEMBL23124060 1.00 AMPD2 (0.46) AMPD2HSD11B1LMNAADRA2ASIGMAR1
SCHEMBL30128700 0.86 SMN1; SMN2 (0.42) AMPD2HSD11B1LMNASIGMAR1CNR2
SCHEMBL9073520 0.81 AMPD2 (0.49) AMPD2LMNA
SCHEMBL29789663 0.80 AMPD2 (0.51) AMPD2LMNASIGMAR1
SCHEMBL23124104 0.80 AMPD2 (0.51) AMPD2LMNASIGMAR1
SCHEMBL11835343 0.75 DRD2 (0.45) AMPD2SIGMAR1
SCHEMBL11786097 0.72 DRD2 (0.58) AMPD2LMNASIGMAR1
SCHEMBL11783262 0.72 AMPD2 (0.50) AMPD2LMNAMEN1KMT2A
SCHEMBL23123417 0.71 P2RX4 (0.44) LMNACNR2
SCHEMBL29789660 0.71 P2RX4 (0.44) LMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 — — CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
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